3-methylidene-5-oxopentadecanedioic acid

C16H26O5 — CID 23469780

IUPAC3-methylidene-5-oxopentadecanedioic acid
SMILESC=C(CC(=O)O)CC(=O)CCCCCCCCCC(=O)O
InChIInChI=1S/C16H26O5/c1-13(12-16(20)21)11-14(17)9-7-5-3-2-4-6-8-10-15(18)19/h1-12H2,(H,18,19)(H,20,21)
InChIKeyHZTMOMVJDUZZGX-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.57
Rot. Bonds14

About 3-methylidene-5-oxopentadecanedioic acid

3-methylidene-5-oxopentadecanedioic acid (PubChem CID 23469780) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-methylidene-5-oxopentadecanedioic acid.

Molecular Properties

Compound Name3-methylidene-5-oxopentadecanedioic acid
PubChem CID23469780
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name3-methylidene-5-oxopentadecanedioic acid
SMILESC=C(CC(=O)O)CC(=O)CCCCCCCCCC(=O)O
InChIInChI=1S/C16H26O5/c1-13(12-16(20)21)11-14(17)9-7-5-3-2-4-6-8-10-15(18)19/h1-12H2,(H,18,19)(H,20,21)
InChIKeyHZTMOMVJDUZZGX-UHFFFAOYSA-N
XLogP3.57
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dioxotridecanedioic acid
CID 59648927
3,16-dioxooctadecanedioic acid
CID 22644280
octanedioic acid;propanedioic acid
CID 159733947
icosanedioic acid;propanedioic acid
CID 87463757
11-hydroxydodec-11-enoic acid
CID 23566131
heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-oxopentadecanedioic acid?
The IUPAC name of 3-methylidene-5-oxopentadecanedioic acid (CID 23469780) is 3-methylidene-5-oxopentadecanedioic acid.
What is the SMILES notation for 3-methylidene-5-oxopentadecanedioic acid?
The canonical SMILES for 3-methylidene-5-oxopentadecanedioic acid is C=C(CC(=O)O)CC(=O)CCCCCCCCCC(=O)O.
What is the InChIKey of 3-methylidene-5-oxopentadecanedioic acid?
The InChIKey is HZTMOMVJDUZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-13(12-16(20)21)11-14(17)9-7-5-3-2-4-6-8-10-15(18)19/h1-12H2,(H,18,19)(H,20,21).
What are the key properties of 3-methylidene-5-oxopentadecanedioic acid?
3-methylidene-5-oxopentadecanedioic acid has a molecular weight of 298.38 g/mol, XLogP of 3.57, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-oxopentadecanedioic acid is sourced from PubChem (CID 23469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).