(E)-13-methyltetracos-6-ene

C25H50 — CID 173194183

IUPAC(E)-13-methyltetracos-6-ene
SMILESCCCCC/C=C/CCCCCC(C)CCCCCCCCCCC
InChIInChI=1S/C25H50/c1-4-6-8-10-12-14-16-18-20-22-24-25(3)23-21-19-17-15-13-11-9-7-5-2/h12,14,25H,4-11,13,15-24H2,1-3H3/b14-12+
InChIKeyMMUJHDGHGDZRIX-WYMLVPIESA-N
MW350.68 g/mol
LogP9.63
Rot. Bonds20

About (E)-13-methyltetracos-6-ene

(E)-13-methyltetracos-6-ene (PubChem CID 173194183) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is (E)-13-methyltetracos-6-ene.

Molecular Properties

Compound Name(E)-13-methyltetracos-6-ene
PubChem CID173194183
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name(E)-13-methyltetracos-6-ene
SMILESCCCCC/C=C/CCCCCC(C)CCCCCCCCCCC
InChIInChI=1S/C25H50/c1-4-6-8-10-12-14-16-18-20-22-24-25(3)23-21-19-17-15-13-11-9-7-5-2/h12,14,25H,4-11,13,15-24H2,1-3H3/b14-12+
InChIKeyMMUJHDGHGDZRIX-WYMLVPIESA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.63
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

12-methylicos-6-ene
CID 91498266
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(E)-20-methyloctacos-4-ene
CID 173194294
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
5-methylheptadec-8-ene
CID 162470798
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-10-methyloctadec-7-ene
CID 173194246
7-methylpentadec-1-en-1-ol
CID 73444585
(E)-7-methylpentadec-1-en-1-ol
CID 18427313
2,11-dimethylhexadec-3-ene
CID 123962533

Frequently Asked Questions

What is the IUPAC name of (E)-13-methyltetracos-6-ene?
The IUPAC name of (E)-13-methyltetracos-6-ene (CID 173194183) is (E)-13-methyltetracos-6-ene.
What is the SMILES notation for (E)-13-methyltetracos-6-ene?
The canonical SMILES for (E)-13-methyltetracos-6-ene is CCCCC/C=C/CCCCCC(C)CCCCCCCCCCC.
What is the InChIKey of (E)-13-methyltetracos-6-ene?
The InChIKey is MMUJHDGHGDZRIX-WYMLVPIESA-N. The full InChI is InChI=1S/C25H50/c1-4-6-8-10-12-14-16-18-20-22-24-25(3)23-21-19-17-15-13-11-9-7-5-2/h12,14,25H,4-11,13,15-24H2,1-3H3/b14-12+.
What are the key properties of (E)-13-methyltetracos-6-ene?
(E)-13-methyltetracos-6-ene has a molecular weight of 350.68 g/mol, XLogP of 9.63, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-methyltetracos-6-ene is sourced from PubChem (CID 173194183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).