1-cyclodecylcyclodecane-1,2-diol

C20H38O2 — CID 68755408

IUPAC1-cyclodecylcyclodecane-1,2-diol
SMILESOC1CCCCCCCCC1(O)C1CCCCCCCCC1
InChIInChI=1S/C20H38O2/c21-19-16-12-8-4-5-9-13-17-20(19,22)18-14-10-6-2-1-3-7-11-15-18/h18-19,21-22H,1-17H2
InChIKeyLRDQKIWDXMMVFC-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.35
Rot. Bonds1

About 1-cyclodecylcyclodecane-1,2-diol

1-cyclodecylcyclodecane-1,2-diol (PubChem CID 68755408) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-cyclodecylcyclodecane-1,2-diol.

Molecular Properties

Compound Name1-cyclodecylcyclodecane-1,2-diol
PubChem CID68755408
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name1-cyclodecylcyclodecane-1,2-diol
SMILESOC1CCCCCCCCC1(O)C1CCCCCCCCC1
InChIInChI=1S/C20H38O2/c21-19-16-12-8-4-5-9-13-17-20(19,22)18-14-10-6-2-1-3-7-11-15-18/h18-19,21-22H,1-17H2
InChIKeyLRDQKIWDXMMVFC-UHFFFAOYSA-N
XLogP5.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclodecylcyclodecane-1,2-diol 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-cyclodecylcyclodecane-1,2-diol?
The IUPAC name of 1-cyclodecylcyclodecane-1,2-diol (CID 68755408) is 1-cyclodecylcyclodecane-1,2-diol.
What is the SMILES notation for 1-cyclodecylcyclodecane-1,2-diol?
The canonical SMILES for 1-cyclodecylcyclodecane-1,2-diol is OC1CCCCCCCCC1(O)C1CCCCCCCCC1.
What is the InChIKey of 1-cyclodecylcyclodecane-1,2-diol?
The InChIKey is LRDQKIWDXMMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c21-19-16-12-8-4-5-9-13-17-20(19,22)18-14-10-6-2-1-3-7-11-15-18/h18-19,21-22H,1-17H2.
What are the key properties of 1-cyclodecylcyclodecane-1,2-diol?
1-cyclodecylcyclodecane-1,2-diol has a molecular weight of 310.52 g/mol, XLogP of 5.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecylcyclodecane-1,2-diol is sourced from PubChem (CID 68755408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).