10-chlorodecyl ethyl carbonate

C13H25ClO3 — CID 91699398

IUPAC10-chlorodecyl ethyl carbonate
SMILESCCOC(=O)OCCCCCCCCCCCl
InChIInChI=1S/C13H25ClO3/c1-2-16-13(15)17-12-10-8-6-4-3-5-7-9-11-14/h2-12H2,1H3
InChIKeyRCJVEQGSPNMRBB-UHFFFAOYSA-N
MW264.79 g/mol
LogP4.52
Rot. Bonds11

About 10-chlorodecyl ethyl carbonate

10-chlorodecyl ethyl carbonate (PubChem CID 91699398) has the molecular formula C13H25ClO3 and a molecular weight of 264.79 g/mol. Its IUPAC name is 10-chlorodecyl ethyl carbonate.

Molecular Properties

Compound Name10-chlorodecyl ethyl carbonate
PubChem CID91699398
Molecular FormulaC13H25ClO3
Molecular Weight264.79 g/mol
Exact Mass264.15
IUPAC Name10-chlorodecyl ethyl carbonate
SMILESCCOC(=O)OCCCCCCCCCCCl
InChIInChI=1S/C13H25ClO3/c1-2-16-13(15)17-12-10-8-6-4-3-5-7-9-11-14/h2-12H2,1H3
InChIKeyRCJVEQGSPNMRBB-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.79
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-chlorodecyl ethyl carbonate 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 10-chlorodecyl ethyl carbonate?
The IUPAC name of 10-chlorodecyl ethyl carbonate (CID 91699398) is 10-chlorodecyl ethyl carbonate.
What is the SMILES notation for 10-chlorodecyl ethyl carbonate?
The canonical SMILES for 10-chlorodecyl ethyl carbonate is CCOC(=O)OCCCCCCCCCCCl.
What is the InChIKey of 10-chlorodecyl ethyl carbonate?
The InChIKey is RCJVEQGSPNMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3/c1-2-16-13(15)17-12-10-8-6-4-3-5-7-9-11-14/h2-12H2,1H3.
What are the key properties of 10-chlorodecyl ethyl carbonate?
10-chlorodecyl ethyl carbonate has a molecular weight of 264.79 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodecyl ethyl carbonate is sourced from PubChem (CID 91699398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).