4,5,6,7,8,9-hexamethyloctadecane

C24H50 — CID 123746260

IUPAC4,5,6,7,8,9-hexamethyloctadecane
SMILESCCCCCCCCCC(C)C(C)C(C)C(C)C(C)C(C)CCC
InChIInChI=1S/C24H50/c1-9-11-12-13-14-15-16-18-20(4)22(6)24(8)23(7)21(5)19(3)17-10-2/h19-24H,9-18H2,1-8H3
InChIKeyLPJKZASPTRANEV-UHFFFAOYSA-N
MW338.66 g/mol
LogP8.74
Rot. Bonds15

About 4,5,6,7,8,9-hexamethyloctadecane

4,5,6,7,8,9-hexamethyloctadecane (PubChem CID 123746260) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexamethyloctadecane.

Molecular Properties

Compound Name4,5,6,7,8,9-hexamethyloctadecane
PubChem CID123746260
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name4,5,6,7,8,9-hexamethyloctadecane
SMILESCCCCCCCCCC(C)C(C)C(C)C(C)C(C)C(C)CCC
InChIInChI=1S/C24H50/c1-9-11-12-13-14-15-16-18-20(4)22(6)24(8)23(7)21(5)19(3)17-10-2/h19-24H,9-18H2,1-8H3
InChIKeyLPJKZASPTRANEV-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 58.74
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

4,5-dimethylnonadecane
CID 123321090
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
2,3-dimethylnonacosane
CID 71331945
8,9-dimethylhexacosane
CID 160651612
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
3,4,5-trimethyltridecane
CID 21201053
4-ethyl-5,6-dimethylheptadecane
CID 123804751
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexamethyloctadecane?
The IUPAC name of 4,5,6,7,8,9-hexamethyloctadecane (CID 123746260) is 4,5,6,7,8,9-hexamethyloctadecane.
What is the SMILES notation for 4,5,6,7,8,9-hexamethyloctadecane?
The canonical SMILES for 4,5,6,7,8,9-hexamethyloctadecane is CCCCCCCCCC(C)C(C)C(C)C(C)C(C)C(C)CCC.
What is the InChIKey of 4,5,6,7,8,9-hexamethyloctadecane?
The InChIKey is LPJKZASPTRANEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-9-11-12-13-14-15-16-18-20(4)22(6)24(8)23(7)21(5)19(3)17-10-2/h19-24H,9-18H2,1-8H3.
What are the key properties of 4,5,6,7,8,9-hexamethyloctadecane?
4,5,6,7,8,9-hexamethyloctadecane has a molecular weight of 338.66 g/mol, XLogP of 8.74, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexamethyloctadecane is sourced from PubChem (CID 123746260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).