3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol

C20H38O — CID 52948707

IUPAC3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
SMILESCC1=CCCC(C)(C)C1CCC(C)CCCC(C)CCO
InChIInChI=1S/C20H38O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h10,16-17,19,21H,6-9,11-15H2,1-5H3
InChIKeyKKUMGESABLODEG-UHFFFAOYSA-N
MW294.52 g/mol
LogP5.97
Rot. Bonds9

About 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol

3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol (PubChem CID 52948707) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
PubChem CID52948707
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
SMILESCC1=CCCC(C)(C)C1CCC(C)CCCC(C)CCO
InChIInChI=1S/C20H38O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h10,16-17,19,21H,6-9,11-15H2,1-5H3
InChIKeyKKUMGESABLODEG-UHFFFAOYSA-N
XLogP5.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 55.97
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 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol?
The IUPAC name of 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol (CID 52948707) is 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol.
What is the SMILES notation for 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol?
The canonical SMILES for 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol is CC1=CCCC(C)(C)C1CCC(C)CCCC(C)CCO.
What is the InChIKey of 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol?
The InChIKey is KKUMGESABLODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h10,16-17,19,21H,6-9,11-15H2,1-5H3.
What are the key properties of 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol?
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol has a molecular weight of 294.52 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol is sourced from PubChem (CID 52948707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).