(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol

C10H16O — CID 101264414

IUPAC(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
SMILESC=CC1=C[C@@H](O)CCC1(C)C
InChIInChI=1S/C10H16O/c1-4-8-7-9(11)5-6-10(8,2)3/h4,7,9,11H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKeyLKLCDYRGTQMCIG-VIFPVBQESA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds1

About (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol

(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol (PubChem CID 101264414) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
PubChem CID101264414
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
SMILESC=CC1=C[C@@H](O)CCC1(C)C
InChIInChI=1S/C10H16O/c1-4-8-7-9(11)5-6-10(8,2)3/h4,7,9,11H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKeyLKLCDYRGTQMCIG-VIFPVBQESA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4aS)-4a,8,8-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-ol
CID 11458235
(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
CID 15699930
3-ethenylcyclohex-2-en-1-ol
CID 10866328
(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130741530
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 15768058
(10R,12R)-17-ethenyl-10,12-dimethyl-1,2,3,6,7,8,9,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 54449575
3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
CID 70590161
(3R,10R,13S)-10,13-dimethyl-17-methylidene-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 59916980
(17Z)-17-ethylidene-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
CID 70880847
(1S,2R,5S,7S,10R,11S,14R,15R)-16-ethenyl-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-ene-5,7-diol
CID 72702445
2,3,4,4-tetramethylcyclohex-2-en-1-ol
CID 21015437

Frequently Asked Questions

What is the IUPAC name of (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol (CID 101264414) is (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol is C=CC1=C[C@@H](O)CCC1(C)C.
What is the InChIKey of (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol?
The InChIKey is LKLCDYRGTQMCIG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O/c1-4-8-7-9(11)5-6-10(8,2)3/h4,7,9,11H,1,5-6H2,2-3H3/t9-/m0/s1.
What are the key properties of (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol?
(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 101264414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).