(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol

C20H34O2 — CID 162890541

IUPAC(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
SMILESCC(C)=CCCC(C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H34O2/c1-15(2)8-7-13-20(5,22)18-12-11-16(3)9-6-10-17(4)14-19(18)21/h8-9,14,18-19,21-22H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19+,20?/m1/s1
InChIKeyQXRCMBJQDNNQTD-OLUAPAMBSA-N
MW306.49 g/mol
LogP4.93
Rot. Bonds4

About (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol

(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol (PubChem CID 162890541) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol.

Molecular Properties

Compound Name(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
PubChem CID162890541
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
SMILESCC(C)=CCCC(C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H34O2/c1-15(2)8-7-13-20(5,22)18-12-11-16(3)9-6-10-17(4)14-19(18)21/h8-9,14,18-19,21-22H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19+,20?/m1/s1
InChIKeyQXRCMBJQDNNQTD-OLUAPAMBSA-N
XLogP4.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl)-6-methylhept-5-en-2-ol
CID 14193944
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
(1S,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-ol
CID 6431167
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
CID 135296629
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
(1R,2E,6E,10E,14S)-14-(3-hydroxyprop-1-en-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
CID 134774359
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
CID 162972560

Frequently Asked Questions

What is the IUPAC name of (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol?
The IUPAC name of (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol (CID 162890541) is (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol.
What is the SMILES notation for (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol?
The canonical SMILES for (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol is CC(C)=CCCC(C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C/[C@@H]1O.
What is the InChIKey of (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol?
The InChIKey is QXRCMBJQDNNQTD-OLUAPAMBSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)8-7-13-20(5,22)18-12-11-16(3)9-6-10-17(4)14-19(18)21/h8-9,14,18-19,21-22H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19+,20?/m1/s1.
What are the key properties of (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol?
(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol has a molecular weight of 306.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol is sourced from PubChem (CID 162890541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).