8-methyltridec-5-ene

C14H28 — CID 123857568

IUPAC8-methyltridec-5-ene
SMILESCCCCC=CCC(C)CCCCC
InChIInChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3
InChIKeyNLYLDTXLTUINNE-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds9

About 8-methyltridec-5-ene

8-methyltridec-5-ene (PubChem CID 123857568) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 8-methyltridec-5-ene.

Molecular Properties

Compound Name8-methyltridec-5-ene
PubChem CID123857568
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name8-methyltridec-5-ene
SMILESCCCCC=CCC(C)CCCCC
InChIInChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3
InChIKeyNLYLDTXLTUINNE-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)-10-methyloctadec-7-ene
CID 173194246
9,16-dimethyltetracos-11-ene
CID 123705440
(E)-5-methyltetradec-7-ene
CID 173194503
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(E)-13-ethyl-7-methylnonadec-9-ene
CID 173194422
(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
CID 174139015
3-methyltetradec-5-en-1-ol
CID 141478890
(Z)-14-methyltricos-9-ene
CID 15730850

Frequently Asked Questions

What is the IUPAC name of 8-methyltridec-5-ene?
The IUPAC name of 8-methyltridec-5-ene (CID 123857568) is 8-methyltridec-5-ene.
What is the SMILES notation for 8-methyltridec-5-ene?
The canonical SMILES for 8-methyltridec-5-ene is CCCCC=CCC(C)CCCCC.
What is the InChIKey of 8-methyltridec-5-ene?
The InChIKey is NLYLDTXLTUINNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3.
What are the key properties of 8-methyltridec-5-ene?
8-methyltridec-5-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-5-ene is sourced from PubChem (CID 123857568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).