2-prop-1-enylundec-2-enoic acid

C14H24O2 — CID 142785547

IUPAC2-prop-1-enylundec-2-enoic acid
SMILESCC=CC(=CCCCCCCCC)C(=O)O
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)14(15)16/h4,11-12H,3,5-10H2,1-2H3,(H,15,16)
InChIKeyLVTXJWOGIHTMNN-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.32
Rot. Bonds9

About 2-prop-1-enylundec-2-enoic acid

2-prop-1-enylundec-2-enoic acid (PubChem CID 142785547) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-prop-1-enylundec-2-enoic acid.

Molecular Properties

Compound Name2-prop-1-enylundec-2-enoic acid
PubChem CID142785547
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-prop-1-enylundec-2-enoic acid
SMILESCC=CC(=CCCCCCCCC)C(=O)O
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)14(15)16/h4,11-12H,3,5-10H2,1-2H3,(H,15,16)
InChIKeyLVTXJWOGIHTMNN-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-prop-1-enylundec-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-formyldec-2-enoic acid
CID 175590598
4-heptylidene-2-methylpent-2-enedioic acid
CID 88683247
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
but-2-enoic acid;tetracosane
CID 159276528
2-nonadecylidenepropanedioic acid
CID 19832661
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(E,2Z)-2-butylideneoct-3-enoic acid
CID 172709713
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enylundec-2-enoic acid?
The IUPAC name of 2-prop-1-enylundec-2-enoic acid (CID 142785547) is 2-prop-1-enylundec-2-enoic acid.
What is the SMILES notation for 2-prop-1-enylundec-2-enoic acid?
The canonical SMILES for 2-prop-1-enylundec-2-enoic acid is CC=CC(=CCCCCCCCC)C(=O)O.
What is the InChIKey of 2-prop-1-enylundec-2-enoic acid?
The InChIKey is LVTXJWOGIHTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)14(15)16/h4,11-12H,3,5-10H2,1-2H3,(H,15,16).
What are the key properties of 2-prop-1-enylundec-2-enoic acid?
2-prop-1-enylundec-2-enoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enylundec-2-enoic acid is sourced from PubChem (CID 142785547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).