(1,1-dicyclohexyl-2-methylhexyl)cyclohexane

C25H46 — CID 141441140

IUPAC(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
SMILESCCCCC(C)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H46/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h21-24H,3-20H2,1-2H3
InChIKeyNDGHNNPCWOEGSZ-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.54
Rot. Bonds7

About (1,1-dicyclohexyl-2-methylhexyl)cyclohexane

(1,1-dicyclohexyl-2-methylhexyl)cyclohexane (PubChem CID 141441140) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is (1,1-dicyclohexyl-2-methylhexyl)cyclohexane.

Molecular Properties

Compound Name(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
PubChem CID141441140
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
SMILESCCCCC(C)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H46/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h21-24H,3-20H2,1-2H3
InChIKeyNDGHNNPCWOEGSZ-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1-dicyclohexyl-2-methylhexyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-dicyclohexyl-2-methylhexyl)cyclohexane?
The IUPAC name of (1,1-dicyclohexyl-2-methylhexyl)cyclohexane (CID 141441140) is (1,1-dicyclohexyl-2-methylhexyl)cyclohexane.
What is the SMILES notation for (1,1-dicyclohexyl-2-methylhexyl)cyclohexane?
The canonical SMILES for (1,1-dicyclohexyl-2-methylhexyl)cyclohexane is CCCCC(C)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1,1-dicyclohexyl-2-methylhexyl)cyclohexane?
The InChIKey is NDGHNNPCWOEGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-3-4-14-21(2)25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h21-24H,3-20H2,1-2H3.
What are the key properties of (1,1-dicyclohexyl-2-methylhexyl)cyclohexane?
(1,1-dicyclohexyl-2-methylhexyl)cyclohexane has a molecular weight of 346.64 g/mol, XLogP of 8.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dicyclohexyl-2-methylhexyl)cyclohexane is sourced from PubChem (CID 141441140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).