3-Methyl-3-buten-2-ol

ScientificNameLabel

3-Methyl-3-buten-2-ol
PHCD compound ID :	882
Chemical Names :	3-Methyl-3-buten-2-ol
Molecular Formula :	C5H10O1
Molecular Weight :	86.073165

More Details :

Names & Synonyms:	3-methylbut-3-en-2-ol , 3-methyl-3-buten-2-ol
Smiles:	CC(=C)[C@H](O)C
InChi :	InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m1/s1
InChi Key :	InChIKey=JEYLKNVLTAPJAF-RXMQYKEDSA-N
PubChem ID :	66329

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.779539
Hydrogen bond donor count :	1	Electric dipole moment :	1.727
XLogP :	0.493	VDW volume :	101.19015
Molecular weight :	86.073165	HOMO-LUMO gap :	10.889000

Herb list :

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Refrences & Litretures:


72. Journal:'Industrial Crops and Products' Year:'2006' Volume:'24' Page:'253' DOI:'10.1016/j.indcrop.2006.06.011' Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'

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