5-methylheptadec-8-ene

C18H36 — CID 162470798

IUPAC5-methylheptadec-8-ene
SMILESCCCCCCCCC=CCCC(C)CCCC
InChIInChI=1S/C18H36/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h13-14,18H,4-12,15-17H2,1-3H3
InChIKeyYLJOWCWCIHWHGG-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds13

About 5-methylheptadec-8-ene

5-methylheptadec-8-ene (PubChem CID 162470798) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 5-methylheptadec-8-ene.

Molecular Properties

Compound Name5-methylheptadec-8-ene
PubChem CID162470798
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name5-methylheptadec-8-ene
SMILESCCCCCCCCC=CCCC(C)CCCC
InChIInChI=1S/C18H36/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h13-14,18H,4-12,15-17H2,1-3H3
InChIKeyYLJOWCWCIHWHGG-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
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

(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
4,21-dimethylpentacos-7-ene
CID 91445883
(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
(E,5R)-2,5-dimethylheptadec-8-ene
CID 11097499
(E)-20-methyloctacos-4-ene
CID 173194294
(Z)-3-methylheptadec-6-ene
CID 159647190
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-5-methyltetradec-7-ene
CID 173194503

Frequently Asked Questions

What is the IUPAC name of 5-methylheptadec-8-ene?
The IUPAC name of 5-methylheptadec-8-ene (CID 162470798) is 5-methylheptadec-8-ene.
What is the SMILES notation for 5-methylheptadec-8-ene?
The canonical SMILES for 5-methylheptadec-8-ene is CCCCCCCCC=CCCC(C)CCCC.
What is the InChIKey of 5-methylheptadec-8-ene?
The InChIKey is YLJOWCWCIHWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h13-14,18H,4-12,15-17H2,1-3H3.
What are the key properties of 5-methylheptadec-8-ene?
5-methylheptadec-8-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylheptadec-8-ene is sourced from PubChem (CID 162470798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).