2-formyldec-2-enoic acid

C11H18O3 — CID 175590598

IUPAC2-formyldec-2-enoic acid
SMILESCCCCCCCC=C(C=O)C(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(9-12)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyKRTSXUGRFNDFBU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.56
Rot. Bonds8

About 2-formyldec-2-enoic acid

2-formyldec-2-enoic acid (PubChem CID 175590598) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-formyldec-2-enoic acid.

Molecular Properties

Compound Name2-formyldec-2-enoic acid
PubChem CID175590598
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-formyldec-2-enoic acid
SMILESCCCCCCCC=C(C=O)C(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(9-12)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyKRTSXUGRFNDFBU-UHFFFAOYSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-formyldec-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-1-enylundec-2-enoic acid
CID 142785547
4-heptylidene-2-methylpent-2-enedioic acid
CID 88683247
2-hexylidenenonanal
CID 54074680
2-octadecyldocos-2-enal
CID 54072385
2-nonadecylidenepropanedioic acid
CID 19832661
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-dodec-9-enoyltetradec-2-enal
CID 173023649
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773

Frequently Asked Questions

What is the IUPAC name of 2-formyldec-2-enoic acid?
The IUPAC name of 2-formyldec-2-enoic acid (CID 175590598) is 2-formyldec-2-enoic acid.
What is the SMILES notation for 2-formyldec-2-enoic acid?
The canonical SMILES for 2-formyldec-2-enoic acid is CCCCCCCC=C(C=O)C(=O)O.
What is the InChIKey of 2-formyldec-2-enoic acid?
The InChIKey is KRTSXUGRFNDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(9-12)11(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-formyldec-2-enoic acid?
2-formyldec-2-enoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyldec-2-enoic acid is sourced from PubChem (CID 175590598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).