6,8-dimethylhexadecane

C18H38 — CID 91185725

IUPAC6,8-dimethylhexadecane
SMILESCCCCCCCCC(C)CC(C)CCCCC
InChIInChI=1S/C18H38/c1-5-7-9-10-11-13-15-18(4)16-17(3)14-12-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyFYNMMYCOYTYGSO-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 6,8-dimethylhexadecane

6,8-dimethylhexadecane (PubChem CID 91185725) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 6,8-dimethylhexadecane.

Molecular Properties

Compound Name6,8-dimethylhexadecane
PubChem CID91185725
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name6,8-dimethylhexadecane
SMILESCCCCCCCCC(C)CC(C)CCCCC
InChIInChI=1S/C18H38/c1-5-7-9-10-11-13-15-18(4)16-17(3)14-12-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyFYNMMYCOYTYGSO-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R,6S)-4,6-dimethyldodecane
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5,15,17-trimethylpentatriacontane
CID 172565406
2,24,26-trimethyldotetracontane
CID 91249721
3,5-dimethylpentacosane
CID 86177199
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
(7R,9S)-7,9-dimethylhexadecan-1-ol
CID 11196523
15-methylhexatriacontane
CID 86002594
(7R)-7-methyltricosane
CID 162971691
6-methyloctacosane
CID 22223942

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylhexadecane?
The IUPAC name of 6,8-dimethylhexadecane (CID 91185725) is 6,8-dimethylhexadecane.
What is the SMILES notation for 6,8-dimethylhexadecane?
The canonical SMILES for 6,8-dimethylhexadecane is CCCCCCCCC(C)CC(C)CCCCC.
What is the InChIKey of 6,8-dimethylhexadecane?
The InChIKey is FYNMMYCOYTYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-7-9-10-11-13-15-18(4)16-17(3)14-12-8-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 6,8-dimethylhexadecane?
6,8-dimethylhexadecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylhexadecane is sourced from PubChem (CID 91185725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).