10-chlorodecyl propyl carbonate

C14H27ClO3 — CID 91703561

IUPAC10-chlorodecyl propyl carbonate
SMILESCCCOC(=O)OCCCCCCCCCCCl
InChIInChI=1S/C14H27ClO3/c1-2-12-17-14(16)18-13-10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3
InChIKeyDPWSUBVTWYBVLC-UHFFFAOYSA-N
MW278.82 g/mol
LogP4.91
Rot. Bonds12

About 10-chlorodecyl propyl carbonate

10-chlorodecyl propyl carbonate (PubChem CID 91703561) has the molecular formula C14H27ClO3 and a molecular weight of 278.82 g/mol. Its IUPAC name is 10-chlorodecyl propyl carbonate.

Molecular Properties

Compound Name10-chlorodecyl propyl carbonate
PubChem CID91703561
Molecular FormulaC14H27ClO3
Molecular Weight278.82 g/mol
Exact Mass278.16
IUPAC Name10-chlorodecyl propyl carbonate
SMILESCCCOC(=O)OCCCCCCCCCCCl
InChIInChI=1S/C14H27ClO3/c1-2-12-17-14(16)18-13-10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3
InChIKeyDPWSUBVTWYBVLC-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 54.91
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 propyl 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 propyl carbonate?
The IUPAC name of 10-chlorodecyl propyl carbonate (CID 91703561) is 10-chlorodecyl propyl carbonate.
What is the SMILES notation for 10-chlorodecyl propyl carbonate?
The canonical SMILES for 10-chlorodecyl propyl carbonate is CCCOC(=O)OCCCCCCCCCCCl.
What is the InChIKey of 10-chlorodecyl propyl carbonate?
The InChIKey is DPWSUBVTWYBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO3/c1-2-12-17-14(16)18-13-10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3.
What are the key properties of 10-chlorodecyl propyl carbonate?
10-chlorodecyl propyl carbonate has a molecular weight of 278.82 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodecyl propyl carbonate is sourced from PubChem (CID 91703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).