6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol

C15H24O — CID 162861479

IUPAC6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol
SMILESC=CC1(C)C(O)CC(C(C)C)=CC1C(=C)C
InChIInChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7-8,10,13-14,16H,1,4,9H2,2-3,5-6H3
InChIKeyVSSMKKGCUJTXDI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.72
Rot. Bonds3

About 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol

6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol (PubChem CID 162861479) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol
PubChem CID162861479
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol
SMILESC=CC1(C)C(O)CC(C(C)C)=CC1C(=C)C
InChIInChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7-8,10,13-14,16H,1,4,9H2,2-3,5-6H3
InChIKeyVSSMKKGCUJTXDI-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-methyl-4-propan-2-ylcyclohex-4-ene-1,2-diol
CID 101145214
(1R)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
CID 91751364
2-ethenyl-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 130151825
1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane
CID 90943443
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
2-ethenyl-2,3-dimethylcyclohexan-1-ol
CID 14604704
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 134933148
(1S,3aR,5S,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-5-ol
CID 24778006
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
2-(4-prop-1-en-2-ylcyclohexen-1-yl)propanal
CID 141352216
(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
CID 101264414

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol?
The IUPAC name of 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol (CID 162861479) is 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol.
What is the SMILES notation for 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol?
The canonical SMILES for 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol is C=CC1(C)C(O)CC(C(C)C)=CC1C(=C)C.
What is the InChIKey of 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol?
The InChIKey is VSSMKKGCUJTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7-8,10,13-14,16H,1,4,9H2,2-3,5-6H3.
What are the key properties of 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol?
6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol is sourced from PubChem (CID 162861479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).