1,1-bis(4-propylcyclohexyl)cyclohexane

C24H44 — CID 54232179

IUPAC1,1-bis(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2(C3CCC(CCC)CC3)CCCCC2)CC1
InChIInChI=1S/C24H44/c1-3-8-20-10-14-22(15-11-20)24(18-6-5-7-19-24)23-16-12-21(9-4-2)13-17-23/h20-23H,3-19H2,1-2H3
InChIKeyMTHXDIMYTIBWMS-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.15
Rot. Bonds6

About 1,1-bis(4-propylcyclohexyl)cyclohexane

1,1-bis(4-propylcyclohexyl)cyclohexane (PubChem CID 54232179) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1,1-bis(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(4-propylcyclohexyl)cyclohexane
PubChem CID54232179
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1,1-bis(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2(C3CCC(CCC)CC3)CCCCC2)CC1
InChIInChI=1S/C24H44/c1-3-8-20-10-14-22(15-11-20)24(18-6-5-7-19-24)23-16-12-21(9-4-2)13-17-23/h20-23H,3-19H2,1-2H3
InChIKeyMTHXDIMYTIBWMS-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1,1-bis(4-propylcyclohexyl)cyclohexane (CID 54232179) is 1,1-bis(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,1-bis(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1,1-bis(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2(C3CCC(CCC)CC3)CCCCC2)CC1.
What is the InChIKey of 1,1-bis(4-propylcyclohexyl)cyclohexane?
The InChIKey is MTHXDIMYTIBWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-3-8-20-10-14-22(15-11-20)24(18-6-5-7-19-24)23-16-12-21(9-4-2)13-17-23/h20-23H,3-19H2,1-2H3.
What are the key properties of 1,1-bis(4-propylcyclohexyl)cyclohexane?
1,1-bis(4-propylcyclohexyl)cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 54232179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).