(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol

C20H34O — CID 162982644

IUPAC(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol
SMILESC=C[C@](C)(O)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C
InChIInChI=1S/C20H34O/c1-7-20(6,21)15-8-10-16(2)12-13-18-17(3)11-9-14-19(18,4)5/h7,10,18,21H,1,3,8-9,11-15H2,2,4-6H3/b16-10+/t18-,20+/m1/s1
InChIKeyYDCKEBYQGRQLLJ-HLUZSCPXSA-N
MW290.49 g/mol
LogP5.81
Rot. Bonds7

About (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol

(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol (PubChem CID 162982644) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol.

Molecular Properties

Compound Name(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol
PubChem CID162982644
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol
SMILESC=C[C@](C)(O)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C
InChIInChI=1S/C20H34O/c1-7-20(6,21)15-8-10-16(2)12-13-18-17(3)11-9-14-19(18,4)5/h7,10,18,21H,1,3,8-9,11-15H2,2,4-6H3/b16-10+/t18-,20+/m1/s1
InChIKeyYDCKEBYQGRQLLJ-HLUZSCPXSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol?
The IUPAC name of (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol (CID 162982644) is (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol.
What is the SMILES notation for (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol?
The canonical SMILES for (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol is C=C[C@](C)(O)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C.
What is the InChIKey of (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol?
The InChIKey is YDCKEBYQGRQLLJ-HLUZSCPXSA-N. The full InChI is InChI=1S/C20H34O/c1-7-20(6,21)15-8-10-16(2)12-13-18-17(3)11-9-14-19(18,4)5/h7,10,18,21H,1,3,8-9,11-15H2,2,4-6H3/b16-10+/t18-,20+/m1/s1.
What are the key properties of (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol?
(3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol has a molecular weight of 290.49 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-1,6-dien-3-ol is sourced from PubChem (CID 162982644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).