butyl undec-10-enyl carbonate

C16H30O3 — CID 6420629

IUPACbutyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCCCC
InChIInChI=1S/C16H30O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3H,1,4-15H2,2H3
InChIKeyYOKOIYLOCVXIDR-UHFFFAOYSA-N
MW270.41 g/mol
LogP5.25
Rot. Bonds13

About butyl undec-10-enyl carbonate

butyl undec-10-enyl carbonate (PubChem CID 6420629) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is butyl undec-10-enyl carbonate.

Molecular Properties

Compound Namebutyl undec-10-enyl carbonate
PubChem CID6420629
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namebutyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCCCC
InChIInChI=1S/C16H30O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3H,1,4-15H2,2H3
InChIKeyYOKOIYLOCVXIDR-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 55.25
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 butyl undec-10-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 butyl undec-10-enyl carbonate?
The IUPAC name of butyl undec-10-enyl carbonate (CID 6420629) is butyl undec-10-enyl carbonate.
What is the SMILES notation for butyl undec-10-enyl carbonate?
The canonical SMILES for butyl undec-10-enyl carbonate is C=CCCCCCCCCCOC(=O)OCCCC.
What is the InChIKey of butyl undec-10-enyl carbonate?
The InChIKey is YOKOIYLOCVXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3H,1,4-15H2,2H3.
What are the key properties of butyl undec-10-enyl carbonate?
butyl undec-10-enyl carbonate has a molecular weight of 270.41 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl undec-10-enyl carbonate is sourced from PubChem (CID 6420629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).