5-formyloct-7-enoic acid

C9H14O3 — CID 87783752

IUPAC5-formyloct-7-enoic acid
SMILESC=CCC(C=O)CCCC(=O)O
InChIInChI=1S/C9H14O3/c1-2-4-8(7-10)5-3-6-9(11)12/h2,7-8H,1,3-6H2,(H,11,12)
InChIKeyWFPFWSQWKLLGCS-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds7

About 5-formyloct-7-enoic acid

5-formyloct-7-enoic acid (PubChem CID 87783752) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-formyloct-7-enoic acid.

Molecular Properties

Compound Name5-formyloct-7-enoic acid
PubChem CID87783752
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name5-formyloct-7-enoic acid
SMILESC=CCC(C=O)CCCC(=O)O
InChIInChI=1S/C9H14O3/c1-2-4-8(7-10)5-3-6-9(11)12/h2,7-8H,1,3-6H2,(H,11,12)
InChIKeyWFPFWSQWKLLGCS-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-formyloctadecanedioic acid
CID 118354608
5-hydroxyoct-7-enoic acid
CID 10953792
12-formylhenicos-9-enedioic acid
CID 161256123
5-prop-2-enyldodecanoic acid
CID 90887636
5-chloro-6-oxohexanoic acid
CID 87845623
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
buta-1,3-diene;decanedioic acid
CID 87614862
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
nonadec-18-enoic acid
CID 543857
4-ethyloct-1-ene;hexanedioic acid
CID 175450276

Frequently Asked Questions

What is the IUPAC name of 5-formyloct-7-enoic acid?
The IUPAC name of 5-formyloct-7-enoic acid (CID 87783752) is 5-formyloct-7-enoic acid.
What is the SMILES notation for 5-formyloct-7-enoic acid?
The canonical SMILES for 5-formyloct-7-enoic acid is C=CCC(C=O)CCCC(=O)O.
What is the InChIKey of 5-formyloct-7-enoic acid?
The InChIKey is WFPFWSQWKLLGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-4-8(7-10)5-3-6-9(11)12/h2,7-8H,1,3-6H2,(H,11,12).
What are the key properties of 5-formyloct-7-enoic acid?
5-formyloct-7-enoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyloct-7-enoic acid is sourced from PubChem (CID 87783752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).