2,4,5-trimethyldodecane

C15H32 — CID 123969029

IUPAC2,4,5-trimethyldodecane
SMILESCCCCCCCC(C)C(C)CC(C)C
InChIInChI=1S/C15H32/c1-6-7-8-9-10-11-14(4)15(5)12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyXDPYTLQXFSQPDS-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 2,4,5-trimethyldodecane

2,4,5-trimethyldodecane (PubChem CID 123969029) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,4,5-trimethyldodecane.

Molecular Properties

Compound Name2,4,5-trimethyldodecane
PubChem CID123969029
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,4,5-trimethyldodecane
SMILESCCCCCCCC(C)C(C)CC(C)C
InChIInChI=1S/C15H32/c1-6-7-8-9-10-11-14(4)15(5)12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyXDPYTLQXFSQPDS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
11-ethyl-2,4,5-trimethyltridecane
CID 91241452
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
4-ethyl-2-methyldecane
CID 19893744
(4S)-2,4-dimethylicosane
CID 134952934
3,4-dimethyldecane;ethane
CID 170980289

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyldodecane?
The IUPAC name of 2,4,5-trimethyldodecane (CID 123969029) is 2,4,5-trimethyldodecane.
What is the SMILES notation for 2,4,5-trimethyldodecane?
The canonical SMILES for 2,4,5-trimethyldodecane is CCCCCCCC(C)C(C)CC(C)C.
What is the InChIKey of 2,4,5-trimethyldodecane?
The InChIKey is XDPYTLQXFSQPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-7-8-9-10-11-14(4)15(5)12-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 2,4,5-trimethyldodecane?
2,4,5-trimethyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyldodecane is sourced from PubChem (CID 123969029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).