(E)-10,15-dimethyltricos-3-ene

C25H50 — CID 173194599

IUPAC(E)-10,15-dimethyltricos-3-ene
SMILESCC/C=C/CCCCCC(C)CCCCC(C)CCCCCCCC
InChIInChI=1S/C25H50/c1-5-7-9-11-13-15-17-21-25(4)23-19-18-22-24(3)20-16-14-12-10-8-6-2/h7,9,24-25H,5-6,8,10-23H2,1-4H3/b9-7+
InChIKeyVMLJDFBFHWORAL-VQHVLOKHSA-N
MW350.68 g/mol
LogP9.49
Rot. Bonds19

About (E)-10,15-dimethyltricos-3-ene

(E)-10,15-dimethyltricos-3-ene (PubChem CID 173194599) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is (E)-10,15-dimethyltricos-3-ene.

Molecular Properties

Compound Name(E)-10,15-dimethyltricos-3-ene
PubChem CID173194599
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name(E)-10,15-dimethyltricos-3-ene
SMILESCC/C=C/CCCCCC(C)CCCCC(C)CCCCCCCC
InChIInChI=1S/C25H50/c1-5-7-9-11-13-15-17-21-25(4)23-19-18-22-24(3)20-16-14-12-10-8-6-2/h7,9,24-25H,5-6,8,10-23H2,1-4H3/b9-7+
InChIKeyVMLJDFBFHWORAL-VQHVLOKHSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.49
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

(E)-13-methyltetracos-6-ene
CID 173194183
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
(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)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
octacos-3-ene
CID 54171253

Frequently Asked Questions

What is the IUPAC name of (E)-10,15-dimethyltricos-3-ene?
The IUPAC name of (E)-10,15-dimethyltricos-3-ene (CID 173194599) is (E)-10,15-dimethyltricos-3-ene.
What is the SMILES notation for (E)-10,15-dimethyltricos-3-ene?
The canonical SMILES for (E)-10,15-dimethyltricos-3-ene is CC/C=C/CCCCCC(C)CCCCC(C)CCCCCCCC.
What is the InChIKey of (E)-10,15-dimethyltricos-3-ene?
The InChIKey is VMLJDFBFHWORAL-VQHVLOKHSA-N. The full InChI is InChI=1S/C25H50/c1-5-7-9-11-13-15-17-21-25(4)23-19-18-22-24(3)20-16-14-12-10-8-6-2/h7,9,24-25H,5-6,8,10-23H2,1-4H3/b9-7+.
What are the key properties of (E)-10,15-dimethyltricos-3-ene?
(E)-10,15-dimethyltricos-3-ene has a molecular weight of 350.68 g/mol, XLogP of 9.49, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10,15-dimethyltricos-3-ene is sourced from PubChem (CID 173194599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).