9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol

C20H34O3 — CID 162864992

IUPAC9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol
SMILESC=C1CCC(O)C(C)(C)C1CCC(C)=CC(O)CC(C)=CCO
InChIInChI=1S/C20H34O3/c1-14(12-17(22)13-15(2)10-11-21)6-8-18-16(3)7-9-19(23)20(18,4)5/h10,12,17-19,21-23H,3,6-9,11,13H2,1-2,4-5H3
InChIKeyGJVACEQURBYCMH-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.76
Rot. Bonds7

About 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol

9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol (PubChem CID 162864992) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol.

Molecular Properties

Compound Name9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol
PubChem CID162864992
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol
SMILESC=C1CCC(O)C(C)(C)C1CCC(C)=CC(O)CC(C)=CCO
InChIInChI=1S/C20H34O3/c1-14(12-17(22)13-15(2)10-11-21)6-8-18-16(3)7-9-19(23)20(18,4)5/h10,12,17-19,21-23H,3,6-9,11,13H2,1-2,4-5H3
InChIKeyGJVACEQURBYCMH-UHFFFAOYSA-N
XLogP3.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
CID 14706914
5-(5-hydroxy-3-methylpent-3-enyl)-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 162935305
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(1S,4aS,5R,8aS)-1-(hydroxymethyl)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 154790698
(Z)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 162958293
(E)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 10469492
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
7-[5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
CID 57393597
7-[5-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy]chromen-2-one
CID 3531875
(1S,4aR)-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 146157812
actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
CID 59931094
4-(hydroxymethyl)-8-(5-hydroxy-3-methylpent-3-enyl)-4,8a-dimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,6-diol
CID 75069287

Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol?
The IUPAC name of 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol (CID 162864992) is 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol.
What is the SMILES notation for 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol?
The canonical SMILES for 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol is C=C1CCC(O)C(C)(C)C1CCC(C)=CC(O)CC(C)=CCO.
What is the InChIKey of 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol?
The InChIKey is GJVACEQURBYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-14(12-17(22)13-15(2)10-11-21)6-8-18-16(3)7-9-19(23)20(18,4)5/h10,12,17-19,21-23H,3,6-9,11,13H2,1-2,4-5H3.
What are the key properties of 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol?
9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol has a molecular weight of 322.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol is sourced from PubChem (CID 162864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).