8-methyltridec-2-ene

C14H28 — CID 154258032

IUPAC8-methyltridec-2-ene
SMILESCC=CCCCCC(C)CCCCC
InChIInChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h4,6,14H,5,7-13H2,1-3H3
InChIKeyMCTRVAWXBFGAQW-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds9

About 8-methyltridec-2-ene

8-methyltridec-2-ene (PubChem CID 154258032) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 8-methyltridec-2-ene.

Molecular Properties

Compound Name8-methyltridec-2-ene
PubChem CID154258032
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name8-methyltridec-2-ene
SMILESCC=CCCCCC(C)CCCCC
InChIInChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h4,6,14H,5,7-13H2,1-3H3
InChIKeyMCTRVAWXBFGAQW-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
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)-19-methyltricos-2-ene
CID 173194552
(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
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(Z)-oct-2-ene
CID 5356796
(E)-20-methyloctacos-4-ene
CID 173194294
oct-2-ene;hydrochloride
CID 86744102
(Z)-icos-2-ene
CID 5352524
7-methyldodec-1-en-1-ol
CID 73437355
(E)-10,15-dimethyltricos-3-ene
CID 173194599

Frequently Asked Questions

What is the IUPAC name of 8-methyltridec-2-ene?
The IUPAC name of 8-methyltridec-2-ene (CID 154258032) is 8-methyltridec-2-ene.
What is the SMILES notation for 8-methyltridec-2-ene?
The canonical SMILES for 8-methyltridec-2-ene is CC=CCCCCC(C)CCCCC.
What is the InChIKey of 8-methyltridec-2-ene?
The InChIKey is MCTRVAWXBFGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h4,6,14H,5,7-13H2,1-3H3.
What are the key properties of 8-methyltridec-2-ene?
8-methyltridec-2-ene has a molecular weight of 196.38 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyltridec-2-ene is sourced from PubChem (CID 154258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).