1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane

C20H40 — CID 102305069

IUPAC1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane
SMILESCCC(C)CCC1CCC(C(C)CCCC(C)C)CC1
InChIInChI=1S/C20H40/c1-6-17(4)10-11-19-12-14-20(15-13-19)18(5)9-7-8-16(2)3/h16-20H,6-15H2,1-5H3
InChIKeyOIUQGFZHSYXHJC-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds9

About 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane

1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane (PubChem CID 102305069) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane
PubChem CID102305069
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane
SMILESCCC(C)CCC1CCC(C(C)CCCC(C)C)CC1
InChIInChI=1S/C20H40/c1-6-17(4)10-11-19-12-14-20(15-13-19)18(5)9-7-8-16(2)3/h16-20H,6-15H2,1-5H3
InChIKeyOIUQGFZHSYXHJC-UHFFFAOYSA-N
XLogP7.08
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 ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane?
The IUPAC name of 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane (CID 102305069) is 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane?
The canonical SMILES for 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane is CCC(C)CCC1CCC(C(C)CCCC(C)C)CC1.
What is the InChIKey of 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane?
The InChIKey is OIUQGFZHSYXHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-6-17(4)10-11-19-12-14-20(15-13-19)18(5)9-7-8-16(2)3/h16-20H,6-15H2,1-5H3.
What are the key properties of 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane?
1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane is sourced from PubChem (CID 102305069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).