3-cyclotetradeca-1,3-dien-1-ylpropanoic acid

C17H28O2 — CID 70614861

IUPAC3-cyclotetradeca-1,3-dien-1-ylpropanoic acid
SMILESO=C(O)CCC1=CC=CCCCCCCCCCC1
InChIInChI=1S/C17H28O2/c18-17(19)15-14-16-12-10-8-6-4-2-1-3-5-7-9-11-13-16/h8,10,12H,1-7,9,11,13-15H2,(H,18,19)
InChIKeyHOLSYXNFZSBKFU-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.25
Rot. Bonds3

About 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid

3-cyclotetradeca-1,3-dien-1-ylpropanoic acid (PubChem CID 70614861) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid.

Molecular Properties

Compound Name3-cyclotetradeca-1,3-dien-1-ylpropanoic acid
PubChem CID70614861
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-cyclotetradeca-1,3-dien-1-ylpropanoic acid
SMILESO=C(O)CCC1=CC=CCCCCCCCCCC1
InChIInChI=1S/C17H28O2/c18-17(19)15-14-16-12-10-8-6-4-2-1-3-5-7-9-11-13-16/h8,10,12H,1-7,9,11,13-15H2,(H,18,19)
InChIKeyHOLSYXNFZSBKFU-UHFFFAOYSA-N
XLogP5.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid?
The IUPAC name of 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid (CID 70614861) is 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid.
What is the SMILES notation for 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid?
The canonical SMILES for 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid is O=C(O)CCC1=CC=CCCCCCCCCCC1.
What is the InChIKey of 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid?
The InChIKey is HOLSYXNFZSBKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c18-17(19)15-14-16-12-10-8-6-4-2-1-3-5-7-9-11-13-16/h8,10,12H,1-7,9,11,13-15H2,(H,18,19).
What are the key properties of 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid?
3-cyclotetradeca-1,3-dien-1-ylpropanoic acid has a molecular weight of 264.41 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclotetradeca-1,3-dien-1-ylpropanoic acid is sourced from PubChem (CID 70614861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).