10-methylidene-9-oxooctadecanoic acid

C19H34O3 — CID 163189932

IUPAC10-methylidene-9-oxooctadecanoic acid
SMILESC=C(CCCCCCCC)C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O3/c1-3-4-5-6-8-11-14-17(2)18(20)15-12-9-7-10-13-16-19(21)22/h2-16H2,1H3,(H,21,22)
InChIKeyUXFZYBNJBWWHPF-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.68
Rot. Bonds16

About 10-methylidene-9-oxooctadecanoic acid

10-methylidene-9-oxooctadecanoic acid (PubChem CID 163189932) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 10-methylidene-9-oxooctadecanoic acid.

Molecular Properties

Compound Name10-methylidene-9-oxooctadecanoic acid
PubChem CID163189932
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name10-methylidene-9-oxooctadecanoic acid
SMILESC=C(CCCCCCCC)C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O3/c1-3-4-5-6-8-11-14-17(2)18(20)15-12-9-7-10-13-16-19(21)22/h2-16H2,1H3,(H,21,22)
InChIKeyUXFZYBNJBWWHPF-UHFFFAOYSA-N
XLogP5.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(Cyclopenten-1-yl)-11-oxo-undecanoic acid
CID 46214743
(E)-9-oxooctadec-10-enoic Acid
CID 6443258
10-methyl-9Z-octadecenoic acid
CID 13908548
28-Methyl-27-nonacosenoic acid
CID 85742837
9-octadecenoic acid, 8-oxo-, (9E)-
CID 637456
3-Methylenenonanoic acid
CID 118788
(E)-11-oxooctadec-12-enoic acid
CID 44543287
2-decyl acrylic Acid
CID 5282682
10-Methylene-octadecanoic acid
CID 5312340
12-oxo-10E-octadecenoic acid
CID 5312910
10-Oxo-trans-11-octadecenoic acid
CID 10308378
9-Oxooctadec-10-enoic acid
CID 188624

Frequently Asked Questions

What is the IUPAC name of 10-methylidene-9-oxooctadecanoic acid?
The IUPAC name of 10-methylidene-9-oxooctadecanoic acid (CID 163189932) is 10-methylidene-9-oxooctadecanoic acid.
What is the SMILES notation for 10-methylidene-9-oxooctadecanoic acid?
The canonical SMILES for 10-methylidene-9-oxooctadecanoic acid is C=C(CCCCCCCC)C(=O)CCCCCCCC(=O)O.
What is the InChIKey of 10-methylidene-9-oxooctadecanoic acid?
The InChIKey is UXFZYBNJBWWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-3-4-5-6-8-11-14-17(2)18(20)15-12-9-7-10-13-16-19(21)22/h2-16H2,1H3,(H,21,22).
What are the key properties of 10-methylidene-9-oxooctadecanoic acid?
10-methylidene-9-oxooctadecanoic acid has a molecular weight of 310.48 g/mol, XLogP of 5.68, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidene-9-oxooctadecanoic acid is sourced from PubChem (CID 163189932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).