1,1-bis(1-cyclohexylethyl)cyclohexane

C22H40 — CID 23163026

IUPAC1,1-bis(1-cyclohexylethyl)cyclohexane
SMILESCC(C1CCCCC1)C1(C(C)C2CCCCC2)CCCCC1
InChIInChI=1S/C22H40/c1-18(20-12-6-3-7-13-20)22(16-10-5-11-17-22)19(2)21-14-8-4-9-15-21/h18-21H,3-17H2,1-2H3
InChIKeyOQNDVBMZTWAIHE-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.37
Rot. Bonds4

About 1,1-bis(1-cyclohexylethyl)cyclohexane

1,1-bis(1-cyclohexylethyl)cyclohexane (PubChem CID 23163026) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,1-bis(1-cyclohexylethyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(1-cyclohexylethyl)cyclohexane
PubChem CID23163026
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,1-bis(1-cyclohexylethyl)cyclohexane
SMILESCC(C1CCCCC1)C1(C(C)C2CCCCC2)CCCCC1
InChIInChI=1S/C22H40/c1-18(20-12-6-3-7-13-20)22(16-10-5-11-17-22)19(2)21-14-8-4-9-15-21/h18-21H,3-17H2,1-2H3
InChIKeyOQNDVBMZTWAIHE-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-cyclohexylethyl)cyclohexane?
The IUPAC name of 1,1-bis(1-cyclohexylethyl)cyclohexane (CID 23163026) is 1,1-bis(1-cyclohexylethyl)cyclohexane.
What is the SMILES notation for 1,1-bis(1-cyclohexylethyl)cyclohexane?
The canonical SMILES for 1,1-bis(1-cyclohexylethyl)cyclohexane is CC(C1CCCCC1)C1(C(C)C2CCCCC2)CCCCC1.
What is the InChIKey of 1,1-bis(1-cyclohexylethyl)cyclohexane?
The InChIKey is OQNDVBMZTWAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-18(20-12-6-3-7-13-20)22(16-10-5-11-17-22)19(2)21-14-8-4-9-15-21/h18-21H,3-17H2,1-2H3.
What are the key properties of 1,1-bis(1-cyclohexylethyl)cyclohexane?
1,1-bis(1-cyclohexylethyl)cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-cyclohexylethyl)cyclohexane is sourced from PubChem (CID 23163026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).