(Z)-19-methyltricos-9-enoic acid

C24H46O2 — CID 170905210

IUPAC(Z)-19-methyltricos-9-enoic acid
SMILESCCCCC(C)CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C24H46O2/c1-3-4-20-23(2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24(25)26/h5,7,23H,3-4,6,8-22H2,1-2H3,(H,25,26)/b7-5-
InChIKeyFBFQGDAWVVUBMY-ALCCZGGFSA-N
MW366.63 g/mol
LogP8.31
Rot. Bonds20

About (Z)-19-methyltricos-9-enoic acid

(Z)-19-methyltricos-9-enoic acid (PubChem CID 170905210) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (Z)-19-methyltricos-9-enoic acid.

Molecular Properties

Compound Name(Z)-19-methyltricos-9-enoic acid
PubChem CID170905210
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(Z)-19-methyltricos-9-enoic acid
SMILESCCCCC(C)CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C24H46O2/c1-3-4-20-23(2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24(25)26/h5,7,23H,3-4,6,8-22H2,1-2H3,(H,25,26)/b7-5-
InChIKeyFBFQGDAWVVUBMY-ALCCZGGFSA-N
XLogP8.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.31
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

10-methyloctadec-6-enoic acid
CID 72542931
(E)-5-methyloctadec-9-enoic acid
CID 129219195
(Z)-9-methylheptadec-6-enoic acid
CID 52921788
(11S)-11-methylhexadecanoic acid
CID 162980930
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
(10R)-10-methylheptadecanoic acid
CID 124527302
9-methylhexadecanoic acid
CID 5312299

Frequently Asked Questions

What is the IUPAC name of (Z)-19-methyltricos-9-enoic acid?
The IUPAC name of (Z)-19-methyltricos-9-enoic acid (CID 170905210) is (Z)-19-methyltricos-9-enoic acid.
What is the SMILES notation for (Z)-19-methyltricos-9-enoic acid?
The canonical SMILES for (Z)-19-methyltricos-9-enoic acid is CCCCC(C)CCCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-19-methyltricos-9-enoic acid?
The InChIKey is FBFQGDAWVVUBMY-ALCCZGGFSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-4-20-23(2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24(25)26/h5,7,23H,3-4,6,8-22H2,1-2H3,(H,25,26)/b7-5-.
What are the key properties of (Z)-19-methyltricos-9-enoic acid?
(Z)-19-methyltricos-9-enoic acid has a molecular weight of 366.63 g/mol, XLogP of 8.31, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-19-methyltricos-9-enoic acid is sourced from PubChem (CID 170905210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).