8,9-dimethylhexadec-8-ene

C18H36 — CID 140717938

IUPAC8,9-dimethylhexadec-8-ene
SMILESCCCCCCCC(C)=C(C)CCCCCCC
InChIInChI=1S/C18H36/c1-5-7-9-11-13-15-17(3)18(4)16-14-12-10-8-6-2/h5-16H2,1-4H3
InChIKeyGFLFQTMHDCWZTH-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds12

About 8,9-dimethylhexadec-8-ene

8,9-dimethylhexadec-8-ene (PubChem CID 140717938) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 8,9-dimethylhexadec-8-ene.

Molecular Properties

Compound Name8,9-dimethylhexadec-8-ene
PubChem CID140717938
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name8,9-dimethylhexadec-8-ene
SMILESCCCCCCCC(C)=C(C)CCCCCCC
InChIInChI=1S/C18H36/c1-5-7-9-11-13-15-17(3)18(4)16-14-12-10-8-6-2/h5-16H2,1-4H3
InChIKeyGFLFQTMHDCWZTH-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
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)-3,4-dimethylicos-3-ene
CID 173263978
2,3-dimethyltridec-2-ene
CID 22376033
3-methyloctadec-2-en-2-amine
CID 87741791
10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
3,4-dimethyltetradec-3-enoic acid
CID 141356263
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
6-iodo-7-methyldodec-6-ene
CID 71334644
9,10-dioctyloctadec-9-ene
CID 10814462
2-butan-2-ylideneoctanoic acid
CID 173391437
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethylhexadec-8-ene?
The IUPAC name of 8,9-dimethylhexadec-8-ene (CID 140717938) is 8,9-dimethylhexadec-8-ene.
What is the SMILES notation for 8,9-dimethylhexadec-8-ene?
The canonical SMILES for 8,9-dimethylhexadec-8-ene is CCCCCCCC(C)=C(C)CCCCCCC.
What is the InChIKey of 8,9-dimethylhexadec-8-ene?
The InChIKey is GFLFQTMHDCWZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-7-9-11-13-15-17(3)18(4)16-14-12-10-8-6-2/h5-16H2,1-4H3.
What are the key properties of 8,9-dimethylhexadec-8-ene?
8,9-dimethylhexadec-8-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethylhexadec-8-ene is sourced from PubChem (CID 140717938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).