5,10-dimethylhexadec-8-ene

C18H36 — CID 91557751

IUPAC5,10-dimethylhexadec-8-ene
SMILESCCCCCCC(C)C=CCCC(C)CCCC
InChIInChI=1S/C18H36/c1-5-7-9-10-14-18(4)16-12-11-15-17(3)13-8-6-2/h12,16-18H,5-11,13-15H2,1-4H3
InChIKeyQSKUOPSSMBYQOK-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.76
Rot. Bonds12

About 5,10-dimethylhexadec-8-ene

5,10-dimethylhexadec-8-ene (PubChem CID 91557751) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 5,10-dimethylhexadec-8-ene.

Molecular Properties

Compound Name5,10-dimethylhexadec-8-ene
PubChem CID91557751
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name5,10-dimethylhexadec-8-ene
SMILESCCCCCCC(C)C=CCCC(C)CCCC
InChIInChI=1S/C18H36/c1-5-7-9-10-14-18(4)16-12-11-15-17(3)13-8-6-2/h12,16-18H,5-11,13-15H2,1-4H3
InChIKeyQSKUOPSSMBYQOK-UHFFFAOYSA-N
XLogP6.76
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 ≤ 56.76
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

7-methylhexadec-5-ene
CID 150059561
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
4,21-dimethylpentacos-7-ene
CID 91445883
5-methylheptadec-8-ene
CID 162470798
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-5-methyldodec-3-ene
CID 173194511
5,23-dimethyltritriacontane
CID 71339926
2,11-dimethylhexadec-3-ene
CID 123962533

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethylhexadec-8-ene?
The IUPAC name of 5,10-dimethylhexadec-8-ene (CID 91557751) is 5,10-dimethylhexadec-8-ene.
What is the SMILES notation for 5,10-dimethylhexadec-8-ene?
The canonical SMILES for 5,10-dimethylhexadec-8-ene is CCCCCCC(C)C=CCCC(C)CCCC.
What is the InChIKey of 5,10-dimethylhexadec-8-ene?
The InChIKey is QSKUOPSSMBYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-7-9-10-14-18(4)16-12-11-15-17(3)13-8-6-2/h12,16-18H,5-11,13-15H2,1-4H3.
What are the key properties of 5,10-dimethylhexadec-8-ene?
5,10-dimethylhexadec-8-ene has a molecular weight of 252.49 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethylhexadec-8-ene is sourced from PubChem (CID 91557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).