1,1,2-tridodecylcyclopentane

C41H82 — CID 18757694

IUPAC1,1,2-tridodecylcyclopentane
SMILESCCCCCCCCCCCCC1CCCC1(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C41H82/c1-4-7-10-13-16-19-22-25-28-31-35-40-36-34-39-41(40,37-32-29-26-23-20-17-14-11-8-5-2)38-33-30-27-24-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3
InChIKeyKUCFKEHLZIGGBZ-UHFFFAOYSA-N
MW575.11 g/mol
LogP15.71
Rot. Bonds33

About 1,1,2-tridodecylcyclopentane

1,1,2-tridodecylcyclopentane (PubChem CID 18757694) has the molecular formula C41H82 and a molecular weight of 575.11 g/mol. Its IUPAC name is 1,1,2-tridodecylcyclopentane.

Molecular Properties

Compound Name1,1,2-tridodecylcyclopentane
PubChem CID18757694
Molecular FormulaC41H82
Molecular Weight575.11 g/mol
Exact Mass574.64
IUPAC Name1,1,2-tridodecylcyclopentane
SMILESCCCCCCCCCCCCC1CCCC1(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C41H82/c1-4-7-10-13-16-19-22-25-28-31-35-40-36-34-39-41(40,37-32-29-26-23-20-17-14-11-8-5-2)38-33-30-27-24-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3
InChIKeyKUCFKEHLZIGGBZ-UHFFFAOYSA-N
XLogP15.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2-tridodecylcyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tridodecylcyclopentane?
The IUPAC name of 1,1,2-tridodecylcyclopentane (CID 18757694) is 1,1,2-tridodecylcyclopentane.
What is the SMILES notation for 1,1,2-tridodecylcyclopentane?
The canonical SMILES for 1,1,2-tridodecylcyclopentane is CCCCCCCCCCCCC1CCCC1(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1,1,2-tridodecylcyclopentane?
The InChIKey is KUCFKEHLZIGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H82/c1-4-7-10-13-16-19-22-25-28-31-35-40-36-34-39-41(40,37-32-29-26-23-20-17-14-11-8-5-2)38-33-30-27-24-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3.
What are the key properties of 1,1,2-tridodecylcyclopentane?
1,1,2-tridodecylcyclopentane has a molecular weight of 575.11 g/mol, XLogP of 15.71, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tridodecylcyclopentane is sourced from PubChem (CID 18757694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).