2-prop-2-enyldodec-11-enoic acid

C15H26O2 — CID 88827199

IUPAC2-prop-2-enyldodec-11-enoic acid
SMILESC=CCCCCCCCCC(CC=C)C(=O)O
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17/h3-4,14H,1-2,5-13H2,(H,16,17)
InChIKeyIUWVLYZOAYYMBS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.57
Rot. Bonds12

About 2-prop-2-enyldodec-11-enoic acid

2-prop-2-enyldodec-11-enoic acid (PubChem CID 88827199) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-prop-2-enyldodec-11-enoic acid.

Molecular Properties

Compound Name2-prop-2-enyldodec-11-enoic acid
PubChem CID88827199
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-prop-2-enyldodec-11-enoic acid
SMILESC=CCCCCCCCCC(CC=C)C(=O)O
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17/h3-4,14H,1-2,5-13H2,(H,16,17)
InChIKeyIUWVLYZOAYYMBS-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-prop-2-enyldec-9-enoic acid
CID 90413259
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-prop-2-enyloctadecanoic acid
CID 54468209
2-pentyldec-9-enoic acid
CID 175975601
2-oct-7-enylpentanedioic acid
CID 45359271
2-(methoxymethyl)non-8-enoic acid
CID 90389869
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
sodium 3-carboxynon-8-enoate
CID 102118555
sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
(2R)-2-methylnon-8-enoic acid
CID 129385535
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
2-but-3-enyldecanoic acid;sulfane
CID 174631215

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyldodec-11-enoic acid?
The IUPAC name of 2-prop-2-enyldodec-11-enoic acid (CID 88827199) is 2-prop-2-enyldodec-11-enoic acid.
What is the SMILES notation for 2-prop-2-enyldodec-11-enoic acid?
The canonical SMILES for 2-prop-2-enyldodec-11-enoic acid is C=CCCCCCCCCC(CC=C)C(=O)O.
What is the InChIKey of 2-prop-2-enyldodec-11-enoic acid?
The InChIKey is IUWVLYZOAYYMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17/h3-4,14H,1-2,5-13H2,(H,16,17).
What are the key properties of 2-prop-2-enyldodec-11-enoic acid?
2-prop-2-enyldodec-11-enoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyldodec-11-enoic acid is sourced from PubChem (CID 88827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).