2-[(Z)-tetradec-5-enyl]cyclobutan-1-one

C18H32O — CID 10825540

IUPAC2-[(Z)-tetradec-5-enyl]cyclobutan-1-one
SMILESCCCCCCCC/C=C\CCCCC1CCC1=O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChIKeyITFDRFJPWYWSMZ-KTKRTIGZSA-N
MW264.45 g/mol
LogP5.83
Rot. Bonds12

About 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one

2-[(Z)-tetradec-5-enyl]cyclobutan-1-one (PubChem CID 10825540) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[(Z)-tetradec-5-enyl]cyclobutan-1-one
PubChem CID10825540
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-[(Z)-tetradec-5-enyl]cyclobutan-1-one
SMILESCCCCCCCC/C=C\CCCCC1CCC1=O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChIKeyITFDRFJPWYWSMZ-KTKRTIGZSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one 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 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one?
The IUPAC name of 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one (CID 10825540) is 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one.
What is the SMILES notation for 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one?
The canonical SMILES for 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one is CCCCCCCC/C=C\CCCCC1CCC1=O.
What is the InChIKey of 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one?
The InChIKey is ITFDRFJPWYWSMZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-.
What are the key properties of 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one?
2-[(Z)-tetradec-5-enyl]cyclobutan-1-one has a molecular weight of 264.45 g/mol, XLogP of 5.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-tetradec-5-enyl]cyclobutan-1-one is sourced from PubChem (CID 10825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).