1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane

C26H46 — CID 173089072

IUPAC1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
SMILESCC(C1(C2CCCCC2)CCCCC1)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C26H46/c1-22(25(18-10-4-11-19-25)23-14-6-2-7-15-23)26(20-12-5-13-21-26)24-16-8-3-9-17-24/h22-24H,2-21H2,1H3
InChIKeyHVPPWMJJICUAPR-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.68
Rot. Bonds4

About 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane

1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane (PubChem CID 173089072) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
PubChem CID173089072
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
SMILESCC(C1(C2CCCCC2)CCCCC1)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C26H46/c1-22(25(18-10-4-11-19-25)23-14-6-2-7-15-23)26(20-12-5-13-21-26)24-16-8-3-9-17-24/h22-24H,2-21H2,1H3
InChIKeyHVPPWMJJICUAPR-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane (CID 173089072) is 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane is CC(C1(C2CCCCC2)CCCCC1)C1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane?
The InChIKey is HVPPWMJJICUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-22(25(18-10-4-11-19-25)23-14-6-2-7-15-23)26(20-12-5-13-21-26)24-16-8-3-9-17-24/h22-24H,2-21H2,1H3.
What are the key properties of 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane?
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane has a molecular weight of 358.65 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 173089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).