1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol

C15H26O2 — CID 101025342

IUPAC1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol
SMILESC=CC1(C)CCCC=C1C(O)C(C)(O)C(C)C
InChIInChI=1S/C15H26O2/c1-6-14(4)10-8-7-9-12(14)13(16)15(5,17)11(2)3/h6,9,11,13,16-17H,1,7-8,10H2,2-5H3
InChIKeyKRGGKEVPOOEJHF-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds4

About 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol

1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol (PubChem CID 101025342) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol
PubChem CID101025342
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol
SMILESC=CC1(C)CCCC=C1C(O)C(C)(O)C(C)C
InChIInChI=1S/C15H26O2/c1-6-14(4)10-8-7-9-12(14)13(16)15(5,17)11(2)3/h6,9,11,13,16-17H,1,7-8,10H2,2-5H3
InChIKeyKRGGKEVPOOEJHF-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-ethenyl-1-[(R)-(6-ethenyl-6-methylcyclohexen-1-yl)-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 101025322
6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene
CID 88826043
(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one
CID 91748524
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol
CID 170090403
(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene
CID 11458376
1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
CID 172575297
1-[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]but-2-en-1-ol
CID 90886051
1-[(1R,4aR,8S)-8-iodo-1,4a,8-trimethyl-3,4,6,7,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]prop-2-en-1-ol
CID 66641644
trans-(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-8-hydroxy-8-methylnon-6-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 24779630
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol?
The IUPAC name of 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol (CID 101025342) is 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol.
What is the SMILES notation for 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol?
The canonical SMILES for 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol is C=CC1(C)CCCC=C1C(O)C(C)(O)C(C)C.
What is the InChIKey of 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol?
The InChIKey is KRGGKEVPOOEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(4)10-8-7-9-12(14)13(16)15(5,17)11(2)3/h6,9,11,13,16-17H,1,7-8,10H2,2-5H3.
What are the key properties of 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol?
1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-6-methylcyclohexen-1-yl)-2,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 101025342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).