(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol

C20H34O2 — CID 163186769

IUPAC(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol
SMILESC=C(CC[C@@H]1C(=C)CCCC1(C)C)[C@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3/b15-12+/t18-,19-/m1/s1
InChIKeyRCJPBQXKRJHRGW-BDZHWRPJSA-N
MW306.49 g/mol
LogP4.78
Rot. Bonds8

About (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol

(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol (PubChem CID 163186769) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol
PubChem CID163186769
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol
SMILESC=C(CC[C@@H]1C(=C)CCCC1(C)C)[C@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3/b15-12+/t18-,19-/m1/s1
InChIKeyRCJPBQXKRJHRGW-BDZHWRPJSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol?
The IUPAC name of (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol (CID 163186769) is (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol.
What is the SMILES notation for (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol?
The canonical SMILES for (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol is C=C(CC[C@@H]1C(=C)CCCC1(C)C)[C@H](O)CC/C(C)=C/CO.
What is the InChIKey of (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol?
The InChIKey is RCJPBQXKRJHRGW-BDZHWRPJSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3/b15-12+/t18-,19-/m1/s1.
What are the key properties of (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol?
(E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol has a molecular weight of 306.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol is sourced from PubChem (CID 163186769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).