(E)-19-methyltricos-2-ene

C24H48 — CID 173194552

IUPAC(E)-19-methyltricos-2-ene
SMILESC/C=C/CCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C24H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h4,6,24H,5,7-23H2,1-3H3/b6-4+
InChIKeyVFFPSCFJEXEAHY-GQCTYLIASA-N
MW336.65 g/mol
LogP9.24
Rot. Bonds19

About (E)-19-methyltricos-2-ene

(E)-19-methyltricos-2-ene (PubChem CID 173194552) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is (E)-19-methyltricos-2-ene.

Molecular Properties

Compound Name(E)-19-methyltricos-2-ene
PubChem CID173194552
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name(E)-19-methyltricos-2-ene
SMILESC/C=C/CCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C24H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h4,6,24H,5,7-23H2,1-3H3/b6-4+
InChIKeyVFFPSCFJEXEAHY-GQCTYLIASA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

8-methyltridec-2-ene
CID 154258032
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
12-methylicos-6-ene
CID 91498266
(E)-13-methyltetracos-6-ene
CID 173194183
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
4,21-dimethylpentacos-7-ene
CID 91445883
(E)-20-methyloctacos-4-ene
CID 173194294
5-methylheptadec-8-ene
CID 162470798
(Z)-icos-2-ene
CID 5352524
(E)-10,15-dimethyltricos-3-ene
CID 173194599
2-methyldec-8-en-1-ol
CID 151918594

Frequently Asked Questions

What is the IUPAC name of (E)-19-methyltricos-2-ene?
The IUPAC name of (E)-19-methyltricos-2-ene (CID 173194552) is (E)-19-methyltricos-2-ene.
What is the SMILES notation for (E)-19-methyltricos-2-ene?
The canonical SMILES for (E)-19-methyltricos-2-ene is C/C=C/CCCCCCCCCCCCCCCC(C)CCCC.
What is the InChIKey of (E)-19-methyltricos-2-ene?
The InChIKey is VFFPSCFJEXEAHY-GQCTYLIASA-N. The full InChI is InChI=1S/C24H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h4,6,24H,5,7-23H2,1-3H3/b6-4+.
What are the key properties of (E)-19-methyltricos-2-ene?
(E)-19-methyltricos-2-ene has a molecular weight of 336.65 g/mol, XLogP of 9.24, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-19-methyltricos-2-ene is sourced from PubChem (CID 173194552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).