3-prop-2-enoyloxypentadecanoic acid

C18H32O4 — CID 57233107

IUPAC3-prop-2-enoyloxypentadecanoic acid
SMILESC=CC(=O)OC(CCCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C18H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-16(15-17(19)20)22-18(21)4-2/h4,16H,2-3,5-15H2,1H3,(H,19,20)
InChIKeyWSHLDFSFSCOKGU-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.87
Rot. Bonds15

About 3-prop-2-enoyloxypentadecanoic acid

3-prop-2-enoyloxypentadecanoic acid (PubChem CID 57233107) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-prop-2-enoyloxypentadecanoic acid.

Molecular Properties

Compound Name3-prop-2-enoyloxypentadecanoic acid
PubChem CID57233107
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name3-prop-2-enoyloxypentadecanoic acid
SMILESC=CC(=O)OC(CCCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C18H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-16(15-17(19)20)22-18(21)4-2/h4,16H,2-3,5-15H2,1H3,(H,19,20)
InChIKeyWSHLDFSFSCOKGU-UHFFFAOYSA-N
XLogP4.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-prop-2-enoyloxypentadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
ethanol;octan-3-yl prop-2-enoate
CID 158914224
3-(3-hydroxydec-2-enoyloxy)octanoic acid
CID 140865721
3-(3-hydroxydec-2-enoyloxy)nonanoic acid
CID 140865772

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypentadecanoic acid?
The IUPAC name of 3-prop-2-enoyloxypentadecanoic acid (CID 57233107) is 3-prop-2-enoyloxypentadecanoic acid.
What is the SMILES notation for 3-prop-2-enoyloxypentadecanoic acid?
The canonical SMILES for 3-prop-2-enoyloxypentadecanoic acid is C=CC(=O)OC(CCCCCCCCCCCC)CC(=O)O.
What is the InChIKey of 3-prop-2-enoyloxypentadecanoic acid?
The InChIKey is WSHLDFSFSCOKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-16(15-17(19)20)22-18(21)4-2/h4,16H,2-3,5-15H2,1H3,(H,19,20).
What are the key properties of 3-prop-2-enoyloxypentadecanoic acid?
3-prop-2-enoyloxypentadecanoic acid has a molecular weight of 312.45 g/mol, XLogP of 4.87, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypentadecanoic acid is sourced from PubChem (CID 57233107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).