(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol

C20H34O2 — CID 14706914

IUPAC(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
SMILESC=C1CCCC(C)(C)[C@H]1CC/C(C)=C/C(O)C/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(13-18(22)14-16(2)10-12-21)8-9-19-17(3)7-6-11-20(19,4)5/h10,13,18-19,21-22H,3,6-9,11-12,14H2,1-2,4-5H3/b15-13+,16-10+/t18?,19-/m0/s1
InChIKeyGXWPSHUSPAZKPX-ZCQXNRMISA-N
MW306.49 g/mol
LogP4.78
Rot. Bonds7

About (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol

(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol (PubChem CID 14706914) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol.

Molecular Properties

Compound Name(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
PubChem CID14706914
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
SMILESC=C1CCCC(C)(C)[C@H]1CC/C(C)=C/C(O)C/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(13-18(22)14-16(2)10-12-21)8-9-19-17(3)7-6-11-20(19,4)5/h10,13,18-19,21-22H,3,6-9,11-12,14H2,1-2,4-5H3/b15-13+,16-10+/t18?,19-/m0/s1
InChIKeyGXWPSHUSPAZKPX-ZCQXNRMISA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol
CID 162864992
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
5-[3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-en-1-ol
CID 162888501
(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
CID 163191128
(2E,6S,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
CID 162853452
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(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
(1S,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966594
(1R,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966593
2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]cyclohexa-2,5-diene-1,4-dione
CID 5373709

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol?
The IUPAC name of (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol (CID 14706914) is (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol.
What is the SMILES notation for (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol?
The canonical SMILES for (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol is C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/C(O)C/C(C)=C/CO.
What is the InChIKey of (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol?
The InChIKey is GXWPSHUSPAZKPX-ZCQXNRMISA-N. The full InChI is InChI=1S/C20H34O2/c1-15(13-18(22)14-16(2)10-12-21)8-9-19-17(3)7-6-11-20(19,4)5/h10,13,18-19,21-22H,3,6-9,11-12,14H2,1-2,4-5H3/b15-13+,16-10+/t18?,19-/m0/s1.
What are the key properties of (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol?
(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol has a molecular weight of 306.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol is sourced from PubChem (CID 14706914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).