3-(3-hydroxydec-2-enoyloxy)nonanoic acid

C19H34O5 — CID 140865772

IUPAC3-(3-hydroxydec-2-enoyloxy)nonanoic acid
SMILESCCCCCCCC(O)=CC(=O)OC(CCCCCC)CC(=O)O
InChIInChI=1S/C19H34O5/c1-3-5-7-9-10-12-16(20)14-19(23)24-17(15-18(21)22)13-11-8-6-4-2/h14,17,20H,3-13,15H2,1-2H3,(H,21,22)
InChIKeyVUULAUXLPZYEFW-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.15
Rot. Bonds15

About 3-(3-hydroxydec-2-enoyloxy)nonanoic acid

3-(3-hydroxydec-2-enoyloxy)nonanoic acid (PubChem CID 140865772) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-(3-hydroxydec-2-enoyloxy)nonanoic acid.

Molecular Properties

Compound Name3-(3-hydroxydec-2-enoyloxy)nonanoic acid
PubChem CID140865772
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name3-(3-hydroxydec-2-enoyloxy)nonanoic acid
SMILESCCCCCCCC(O)=CC(=O)OC(CCCCCC)CC(=O)O
InChIInChI=1S/C19H34O5/c1-3-5-7-9-10-12-16(20)14-19(23)24-17(15-18(21)22)13-11-8-6-4-2/h14,17,20H,3-13,15H2,1-2H3,(H,21,22)
InChIKeyVUULAUXLPZYEFW-UHFFFAOYSA-N
XLogP5.15
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxydodec-2-enoyloxy)octanoic acid
CID 140865768
3-(3-hydroxydec-2-enoyloxy)octanoic acid
CID 140865721
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
3-nonanoyloxydodecanoic acid
CID 171117444
3-tetradecanoyloxydodecanoic acid
CID 171117412
3-pentadecanoyloxydodecanoic acid
CID 171117414
3-icosanoyloxynonanoic acid
CID 171117466
3-tridecanoyloxyundecanoic acid
CID 171117589
(3R)-3-nonanoyloxytetradecanoic acid
CID 54008856
(3R)-3-acetyloxynonanoic acid
CID 54016264
3-[(Z)-docos-13-enoyl]oxydodecanoic acid
CID 171117432
3-[(Z)-icos-11-enoyl]oxyhexadecanoic acid
CID 134760037

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxydec-2-enoyloxy)nonanoic acid?
The IUPAC name of 3-(3-hydroxydec-2-enoyloxy)nonanoic acid (CID 140865772) is 3-(3-hydroxydec-2-enoyloxy)nonanoic acid.
What is the SMILES notation for 3-(3-hydroxydec-2-enoyloxy)nonanoic acid?
The canonical SMILES for 3-(3-hydroxydec-2-enoyloxy)nonanoic acid is CCCCCCCC(O)=CC(=O)OC(CCCCCC)CC(=O)O.
What is the InChIKey of 3-(3-hydroxydec-2-enoyloxy)nonanoic acid?
The InChIKey is VUULAUXLPZYEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c1-3-5-7-9-10-12-16(20)14-19(23)24-17(15-18(21)22)13-11-8-6-4-2/h14,17,20H,3-13,15H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-hydroxydec-2-enoyloxy)nonanoic acid?
3-(3-hydroxydec-2-enoyloxy)nonanoic acid has a molecular weight of 342.48 g/mol, XLogP of 5.15, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxydec-2-enoyloxy)nonanoic acid is sourced from PubChem (CID 140865772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).