2,6,10-trimethylundecan-2-ylcyclohexane

C20H40 — CID 140656287

IUPAC2,6,10-trimethylundecan-2-ylcyclohexane
SMILESCC(C)CCCC(C)CCCC(C)(C)C1CCCCC1
InChIInChI=1S/C20H40/c1-17(2)11-9-12-18(3)13-10-16-20(4,5)19-14-7-6-8-15-19/h17-19H,6-16H2,1-5H3
InChIKeyUJYWPJVBHCJCFJ-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.23
Rot. Bonds9

About 2,6,10-trimethylundecan-2-ylcyclohexane

2,6,10-trimethylundecan-2-ylcyclohexane (PubChem CID 140656287) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2,6,10-trimethylundecan-2-ylcyclohexane.

Molecular Properties

Compound Name2,6,10-trimethylundecan-2-ylcyclohexane
PubChem CID140656287
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2,6,10-trimethylundecan-2-ylcyclohexane
SMILESCC(C)CCCC(C)CCCC(C)(C)C1CCCCC1
InChIInChI=1S/C20H40/c1-17(2)11-9-12-18(3)13-10-16-20(4,5)19-14-7-6-8-15-19/h17-19H,6-16H2,1-5H3
InChIKeyUJYWPJVBHCJCFJ-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethylundecan-2-ylcyclohexane?
The IUPAC name of 2,6,10-trimethylundecan-2-ylcyclohexane (CID 140656287) is 2,6,10-trimethylundecan-2-ylcyclohexane.
What is the SMILES notation for 2,6,10-trimethylundecan-2-ylcyclohexane?
The canonical SMILES for 2,6,10-trimethylundecan-2-ylcyclohexane is CC(C)CCCC(C)CCCC(C)(C)C1CCCCC1.
What is the InChIKey of 2,6,10-trimethylundecan-2-ylcyclohexane?
The InChIKey is UJYWPJVBHCJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-17(2)11-9-12-18(3)13-10-16-20(4,5)19-14-7-6-8-15-19/h17-19H,6-16H2,1-5H3.
What are the key properties of 2,6,10-trimethylundecan-2-ylcyclohexane?
2,6,10-trimethylundecan-2-ylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethylundecan-2-ylcyclohexane is sourced from PubChem (CID 140656287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).