2,3-dimethylbutane;3-methylundecane

C18H40 — CID 173307544

IUPAC2,3-dimethylbutane;3-methylundecane
SMILESCC(C)C(C)C.CCCCCCCCC(C)CC
InChIInChI=1S/C12H26.C6H14/c1-4-6-7-8-9-10-11-12(3)5-2;1-5(2)6(3)4/h12H,4-11H2,1-3H3;5-6H,1-4H3
InChIKeyWLXFLKHUGPIYIE-UHFFFAOYSA-N
MW256.52 g/mol
LogP7.08
Rot. Bonds9

About 2,3-dimethylbutane;3-methylundecane

2,3-dimethylbutane;3-methylundecane (PubChem CID 173307544) has the molecular formula C18H40 and a molecular weight of 256.52 g/mol. Its IUPAC name is 2,3-dimethylbutane;3-methylundecane.

Molecular Properties

Compound Name2,3-dimethylbutane;3-methylundecane
PubChem CID173307544
Molecular FormulaC18H40
Molecular Weight256.52 g/mol
Exact Mass256.31
IUPAC Name2,3-dimethylbutane;3-methylundecane
SMILESCC(C)C(C)C.CCCCCCCCC(C)CC
InChIInChI=1S/C12H26.C6H14/c1-4-6-7-8-9-10-11-12(3)5-2;1-5(2)6(3)4/h12H,4-11H2,1-3H3;5-6H,1-4H3
InChIKeyWLXFLKHUGPIYIE-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.52
LogP ≤ 57.08
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

hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
methane;3-methyltridecane
CID 161019087
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;3-methylundecane?
The IUPAC name of 2,3-dimethylbutane;3-methylundecane (CID 173307544) is 2,3-dimethylbutane;3-methylundecane.
What is the SMILES notation for 2,3-dimethylbutane;3-methylundecane?
The canonical SMILES for 2,3-dimethylbutane;3-methylundecane is CC(C)C(C)C.CCCCCCCCC(C)CC.
What is the InChIKey of 2,3-dimethylbutane;3-methylundecane?
The InChIKey is WLXFLKHUGPIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C6H14/c1-4-6-7-8-9-10-11-12(3)5-2;1-5(2)6(3)4/h12H,4-11H2,1-3H3;5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane;3-methylundecane?
2,3-dimethylbutane;3-methylundecane has a molecular weight of 256.52 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;3-methylundecane is sourced from PubChem (CID 173307544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).