7-Methyl-6-tridecene

C14H28 — CID 5364660

IUPAC(E)-7-methyltridec-6-ene
SMILESCCCCCC/C(=C/CCCCC)/C
InChIInChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyOWBREJMGOOUEDR-WYMLVPIESA-N
MW196.37 g/mol
LogP6.90
Rot. Bonds9

About 7-Methyl-6-tridecene

7-Methyl-6-tridecene (PubChem CID 5364660) has the molecular formula C14H28 and a molecular weight of 196.37 g/mol. Its IUPAC name is (E)-7-methyltridec-6-ene.

Molecular Properties

Compound Name7-Methyl-6-tridecene
PubChem CID5364660
Molecular FormulaC14H28
Molecular Weight196.37 g/mol
Exact Mass196.22
IUPAC Name(E)-7-methyltridec-6-ene
SMILESCCCCCC/C(=C/CCCCC)/C
InChIInChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyOWBREJMGOOUEDR-WYMLVPIESA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity133

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.37
LogP ≤ 56.90
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

Terpinolene
CID 11463
1-Methylcyclohexene
CID 11574
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
Germacrene B
CID 5281519
3-Undecene, (3E)-
CID 5362751
gamma-Bisabolene
CID 62346
(E)-4-Undecene
CID 5358315
Geraniolene
CID 81203
gamma-BISABOLENE, (E)-
CID 5352437
trans-2-Decene
CID 32899

Frequently Asked Questions

What is the IUPAC name of 7-Methyl-6-tridecene?
The IUPAC name of 7-Methyl-6-tridecene (CID 5364660) is (E)-7-methyltridec-6-ene.
What is the SMILES notation for 7-Methyl-6-tridecene?
The canonical SMILES for 7-Methyl-6-tridecene is CCCCCC/C(=C/CCCCC)/C.
What is the InChIKey of 7-Methyl-6-tridecene?
The InChIKey is OWBREJMGOOUEDR-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12+.
What are the key properties of 7-Methyl-6-tridecene?
7-Methyl-6-tridecene has a molecular weight of 196.37 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Methyl-6-tridecene is sourced from PubChem (CID 5364660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).