6,15-dicyclohexylpentadecan-6-ylcyclohexane

C33H62 — CID 143323723

IUPAC6,15-dicyclohexylpentadecan-6-ylcyclohexane
SMILESCCCCCC(CCCCCCCCCC1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H62/c1-2-3-19-28-33(31-24-15-10-16-25-31,32-26-17-11-18-27-32)29-20-8-6-4-5-7-12-21-30-22-13-9-14-23-30/h30-32H,2-29H2,1H3
InChIKeyCONBJDVGCSTWNP-UHFFFAOYSA-N
MW458.86 g/mol
LogP11.80
Rot. Bonds16

About 6,15-dicyclohexylpentadecan-6-ylcyclohexane

6,15-dicyclohexylpentadecan-6-ylcyclohexane (PubChem CID 143323723) has the molecular formula C33H62 and a molecular weight of 458.86 g/mol. Its IUPAC name is 6,15-dicyclohexylpentadecan-6-ylcyclohexane.

Molecular Properties

Compound Name6,15-dicyclohexylpentadecan-6-ylcyclohexane
PubChem CID143323723
Molecular FormulaC33H62
Molecular Weight458.86 g/mol
Exact Mass458.49
IUPAC Name6,15-dicyclohexylpentadecan-6-ylcyclohexane
SMILESCCCCCC(CCCCCCCCCC1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H62/c1-2-3-19-28-33(31-24-15-10-16-25-31,32-26-17-11-18-27-32)29-20-8-6-4-5-7-12-21-30-22-13-9-14-23-30/h30-32H,2-29H2,1H3
InChIKeyCONBJDVGCSTWNP-UHFFFAOYSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,15-dicyclohexylpentadecan-6-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
CID 58552788
ethene;pentylcyclopentane
CID 145442606
heptylcyclohexane;propan-2-one
CID 143570854
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of 6,15-dicyclohexylpentadecan-6-ylcyclohexane?
The IUPAC name of 6,15-dicyclohexylpentadecan-6-ylcyclohexane (CID 143323723) is 6,15-dicyclohexylpentadecan-6-ylcyclohexane.
What is the SMILES notation for 6,15-dicyclohexylpentadecan-6-ylcyclohexane?
The canonical SMILES for 6,15-dicyclohexylpentadecan-6-ylcyclohexane is CCCCCC(CCCCCCCCCC1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6,15-dicyclohexylpentadecan-6-ylcyclohexane?
The InChIKey is CONBJDVGCSTWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62/c1-2-3-19-28-33(31-24-15-10-16-25-31,32-26-17-11-18-27-32)29-20-8-6-4-5-7-12-21-30-22-13-9-14-23-30/h30-32H,2-29H2,1H3.
What are the key properties of 6,15-dicyclohexylpentadecan-6-ylcyclohexane?
6,15-dicyclohexylpentadecan-6-ylcyclohexane has a molecular weight of 458.86 g/mol, XLogP of 11.80, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dicyclohexylpentadecan-6-ylcyclohexane is sourced from PubChem (CID 143323723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).