9-(2,3-dimethylbutyl)octadecane

C24H50 — CID 123942362

IUPAC9-(2,3-dimethylbutyl)octadecane
SMILESCCCCCCCCCC(CCCCCCCC)CC(C)C(C)C
InChIInChI=1S/C24H50/c1-6-8-10-12-14-16-18-20-24(21-23(5)22(3)4)19-17-15-13-11-9-7-2/h22-24H,6-21H2,1-5H3
InChIKeyPCRDPXWKBFMUJZ-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.18
Rot. Bonds18

About 9-(2,3-dimethylbutyl)octadecane

9-(2,3-dimethylbutyl)octadecane (PubChem CID 123942362) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 9-(2,3-dimethylbutyl)octadecane.

Molecular Properties

Compound Name9-(2,3-dimethylbutyl)octadecane
PubChem CID123942362
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name9-(2,3-dimethylbutyl)octadecane
SMILESCCCCCCCCCC(CCCCCCCC)CC(C)C(C)C
InChIInChI=1S/C24H50/c1-6-8-10-12-14-16-18-20-24(21-23(5)22(3)4)19-17-15-13-11-9-7-2/h22-24H,6-21H2,1-5H3
InChIKeyPCRDPXWKBFMUJZ-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.18
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

5-butyl-2,3-dimethylnonane
CID 123894711
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
2,3-dimethylnonacosane
CID 71331945
2,3,14,15-tetramethylhenicosane
CID 123460288
8-heptyl-10-propyloctadecane
CID 90802423
7,9-dipropylhexadecane
CID 91047634
(3S)-2,3-dimethylnonane;methane
CID 159246988
9-hexyl-7-propylheptadecane
CID 91243882
5,7-dibutylundecane;nonane
CID 159714693

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dimethylbutyl)octadecane?
The IUPAC name of 9-(2,3-dimethylbutyl)octadecane (CID 123942362) is 9-(2,3-dimethylbutyl)octadecane.
What is the SMILES notation for 9-(2,3-dimethylbutyl)octadecane?
The canonical SMILES for 9-(2,3-dimethylbutyl)octadecane is CCCCCCCCCC(CCCCCCCC)CC(C)C(C)C.
What is the InChIKey of 9-(2,3-dimethylbutyl)octadecane?
The InChIKey is PCRDPXWKBFMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-6-8-10-12-14-16-18-20-24(21-23(5)22(3)4)19-17-15-13-11-9-7-2/h22-24H,6-21H2,1-5H3.
What are the key properties of 9-(2,3-dimethylbutyl)octadecane?
9-(2,3-dimethylbutyl)octadecane has a molecular weight of 338.66 g/mol, XLogP of 9.18, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethylbutyl)octadecane is sourced from PubChem (CID 123942362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).