9-formyloctadecanedioic acid

C19H34O5 — CID 118354608

IUPAC9-formyloctadecanedioic acid
SMILESO=CC(CCCCCCCCC(=O)O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O5/c20-16-17(13-9-5-3-7-11-15-19(23)24)12-8-4-1-2-6-10-14-18(21)22/h16-17H,1-15H2,(H,21,22)(H,23,24)
InChIKeyKGKLHNANEHPPME-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.82
Rot. Bonds18

About 9-formyloctadecanedioic acid

9-formyloctadecanedioic acid (PubChem CID 118354608) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 9-formyloctadecanedioic acid.

Molecular Properties

Compound Name9-formyloctadecanedioic acid
PubChem CID118354608
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name9-formyloctadecanedioic acid
SMILESO=CC(CCCCCCCCC(=O)O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O5/c20-16-17(13-9-5-3-7-11-15-19(23)24)12-8-4-1-2-6-10-14-18(21)22/h16-17H,1-15H2,(H,21,22)(H,23,24)
InChIKeyKGKLHNANEHPPME-UHFFFAOYSA-N
XLogP4.82
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-formylhenicos-9-enedioic acid
CID 161256123
5-formyloct-7-enoic acid
CID 87783752
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
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
7,8-dihydroxyhexadecanedioic acid
CID 14556981

Frequently Asked Questions

What is the IUPAC name of 9-formyloctadecanedioic acid?
The IUPAC name of 9-formyloctadecanedioic acid (CID 118354608) is 9-formyloctadecanedioic acid.
What is the SMILES notation for 9-formyloctadecanedioic acid?
The canonical SMILES for 9-formyloctadecanedioic acid is O=CC(CCCCCCCCC(=O)O)CCCCCCCC(=O)O.
What is the InChIKey of 9-formyloctadecanedioic acid?
The InChIKey is KGKLHNANEHPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c20-16-17(13-9-5-3-7-11-15-19(23)24)12-8-4-1-2-6-10-14-18(21)22/h16-17H,1-15H2,(H,21,22)(H,23,24).
What are the key properties of 9-formyloctadecanedioic acid?
9-formyloctadecanedioic acid has a molecular weight of 342.48 g/mol, XLogP of 4.82, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-formyloctadecanedioic acid is sourced from PubChem (CID 118354608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).