bis[(Z)-hex-3-enyl] carbonate

C13H22O3 — CID 156622772

IUPACbis[(Z)-hex-3-enyl] carbonate
SMILESCC/C=C\CCOC(=O)OCC/C=C\CC
InChIInChI=1S/C13H22O3/c1-3-5-7-9-11-15-13(14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyQQKIMZNSIZNXTP-SFECMWDFSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds8

About bis[(Z)-hex-3-enyl] carbonate

bis[(Z)-hex-3-enyl] carbonate (PubChem CID 156622772) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is bis[(Z)-hex-3-enyl] carbonate.

Molecular Properties

Compound Namebis[(Z)-hex-3-enyl] carbonate
PubChem CID156622772
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namebis[(Z)-hex-3-enyl] carbonate
SMILESCC/C=C\CCOC(=O)OCC/C=C\CC
InChIInChI=1S/C13H22O3/c1-3-5-7-9-11-15-13(14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyQQKIMZNSIZNXTP-SFECMWDFSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[(Z)-hex-3-enyl] 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 bis[(Z)-hex-3-enyl] carbonate?
The IUPAC name of bis[(Z)-hex-3-enyl] carbonate (CID 156622772) is bis[(Z)-hex-3-enyl] carbonate.
What is the SMILES notation for bis[(Z)-hex-3-enyl] carbonate?
The canonical SMILES for bis[(Z)-hex-3-enyl] carbonate is CC/C=C\CCOC(=O)OCC/C=C\CC.
What is the InChIKey of bis[(Z)-hex-3-enyl] carbonate?
The InChIKey is QQKIMZNSIZNXTP-SFECMWDFSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-5-7-9-11-15-13(14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-.
What are the key properties of bis[(Z)-hex-3-enyl] carbonate?
bis[(Z)-hex-3-enyl] carbonate has a molecular weight of 226.32 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hex-3-enyl] carbonate is sourced from PubChem (CID 156622772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).