1,4-bis(cyclohexylmethyl)cyclohexane

C20H36 — CID 20730889

IUPAC1,4-bis(cyclohexylmethyl)cyclohexane
SMILESC1CCC(CC2CCC(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H36/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-20H,1-16H2
InChIKeyDYXIFXGRBOLREK-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds4

About 1,4-bis(cyclohexylmethyl)cyclohexane

1,4-bis(cyclohexylmethyl)cyclohexane (PubChem CID 20730889) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,4-bis(cyclohexylmethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(cyclohexylmethyl)cyclohexane
PubChem CID20730889
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,4-bis(cyclohexylmethyl)cyclohexane
SMILESC1CCC(CC2CCC(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H36/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-20H,1-16H2
InChIKeyDYXIFXGRBOLREK-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclohexylmethyl)cyclohexane?
The IUPAC name of 1,4-bis(cyclohexylmethyl)cyclohexane (CID 20730889) is 1,4-bis(cyclohexylmethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(cyclohexylmethyl)cyclohexane?
The canonical SMILES for 1,4-bis(cyclohexylmethyl)cyclohexane is C1CCC(CC2CCC(CC3CCCCC3)CC2)CC1.
What is the InChIKey of 1,4-bis(cyclohexylmethyl)cyclohexane?
The InChIKey is DYXIFXGRBOLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-20H,1-16H2.
What are the key properties of 1,4-bis(cyclohexylmethyl)cyclohexane?
1,4-bis(cyclohexylmethyl)cyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclohexylmethyl)cyclohexane is sourced from PubChem (CID 20730889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).