(E)-3,5-dimethyldec-5-enoic acid

C12H22O2 — CID 87825875

IUPAC(E)-3,5-dimethyldec-5-enoic acid
SMILESCCCC/C=C(\C)CC(C)CC(=O)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-10(2)8-11(3)9-12(13)14/h7,11H,4-6,8-9H2,1-3H3,(H,13,14)/b10-7+
InChIKeyCDNPCTZPZSZVMJ-JXMROGBWSA-N
MW198.31 g/mol
LogP3.62
Rot. Bonds7

About (E)-3,5-dimethyldec-5-enoic acid

(E)-3,5-dimethyldec-5-enoic acid (PubChem CID 87825875) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-3,5-dimethyldec-5-enoic acid.

Molecular Properties

Compound Name(E)-3,5-dimethyldec-5-enoic acid
PubChem CID87825875
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-3,5-dimethyldec-5-enoic acid
SMILESCCCC/C=C(\C)CC(C)CC(=O)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-10(2)8-11(3)9-12(13)14/h7,11H,4-6,8-9H2,1-3H3,(H,13,14)/b10-7+
InChIKeyCDNPCTZPZSZVMJ-JXMROGBWSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.62
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

3-methyloctanoic acid
CID 5312327
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
3-methyloctadec-9-enoic acid
CID 57233638
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
(Z)-3-methyloctadec-9-enoic acid
CID 158151977
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(9R,10E,13Z)-9,11,13-trimethyloctadeca-10,13-dienoic acid
CID 176732811
(Z)-3,8-dimethyl-1-phenyltridec-8-en-1-one
CID 173379331
2,3-dihydroxypropyl (E)-6,8-dimethyltridec-5-enoate
CID 88963494
2-methylhept-2-enamide;hydrate
CID 172812574

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dimethyldec-5-enoic acid?
The IUPAC name of (E)-3,5-dimethyldec-5-enoic acid (CID 87825875) is (E)-3,5-dimethyldec-5-enoic acid.
What is the SMILES notation for (E)-3,5-dimethyldec-5-enoic acid?
The canonical SMILES for (E)-3,5-dimethyldec-5-enoic acid is CCCC/C=C(\C)CC(C)CC(=O)O.
What is the InChIKey of (E)-3,5-dimethyldec-5-enoic acid?
The InChIKey is CDNPCTZPZSZVMJ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-10(2)8-11(3)9-12(13)14/h7,11H,4-6,8-9H2,1-3H3,(H,13,14)/b10-7+.
What are the key properties of (E)-3,5-dimethyldec-5-enoic acid?
(E)-3,5-dimethyldec-5-enoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethyldec-5-enoic acid is sourced from PubChem (CID 87825875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).