2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane

C20H40 — CID 71374334

IUPAC2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
SMILESCCC(C)CCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C20H40/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h16-19H,7-15H2,1-6H3
InChIKeyOLXCDJBKPIBKKS-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds8

About 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane

2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane (PubChem CID 71374334) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
PubChem CID71374334
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
SMILESCCC(C)CCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C20H40/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h16-19H,7-15H2,1-6H3
InChIKeyOLXCDJBKPIBKKS-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane?
The IUPAC name of 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane (CID 71374334) is 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane.
What is the SMILES notation for 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane?
The canonical SMILES for 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane is CCC(C)CCCC(C)CCC1C(C)CCCC1(C)C.
What is the InChIKey of 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane?
The InChIKey is OLXCDJBKPIBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane?
2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 71374334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).