6-cyclohexylundecan-6-ylcyclohexane

C23H44 — CID 140522686

IUPAC6-cyclohexylundecan-6-ylcyclohexane
SMILESCCCCCC(CCCCC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H44/c1-3-5-13-19-23(20-14-6-4-2,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h21-22H,3-20H2,1-2H3
InChIKeyWLYPDJSUNWKAKO-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.29
Rot. Bonds10

About 6-cyclohexylundecan-6-ylcyclohexane

6-cyclohexylundecan-6-ylcyclohexane (PubChem CID 140522686) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 6-cyclohexylundecan-6-ylcyclohexane.

Molecular Properties

Compound Name6-cyclohexylundecan-6-ylcyclohexane
PubChem CID140522686
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name6-cyclohexylundecan-6-ylcyclohexane
SMILESCCCCCC(CCCCC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H44/c1-3-5-13-19-23(20-14-6-4-2,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h21-22H,3-20H2,1-2H3
InChIKeyWLYPDJSUNWKAKO-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
3-cyclohexylnonan-3-ylphosphane
CID 174798619
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
2,2-dicyclohexyldecanal
CID 88668774
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
2-[1-cyclopentyl-1-[1-cyclopentyl-1-(oxiran-2-yl)nonoxy]nonyl]oxirane
CID 139645356
4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
CID 139824861
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
(1-cyclohexyl-1-pentoxyethyl)cyclohexane
CID 154983829

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylundecan-6-ylcyclohexane?
The IUPAC name of 6-cyclohexylundecan-6-ylcyclohexane (CID 140522686) is 6-cyclohexylundecan-6-ylcyclohexane.
What is the SMILES notation for 6-cyclohexylundecan-6-ylcyclohexane?
The canonical SMILES for 6-cyclohexylundecan-6-ylcyclohexane is CCCCCC(CCCCC)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-cyclohexylundecan-6-ylcyclohexane?
The InChIKey is WLYPDJSUNWKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-3-5-13-19-23(20-14-6-4-2,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h21-22H,3-20H2,1-2H3.
What are the key properties of 6-cyclohexylundecan-6-ylcyclohexane?
6-cyclohexylundecan-6-ylcyclohexane has a molecular weight of 320.61 g/mol, XLogP of 8.29, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylundecan-6-ylcyclohexane is sourced from PubChem (CID 140522686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).