3,4,7-trimethyldodecane

C15H32 — CID 123406738

IUPAC3,4,7-trimethyldodecane
SMILESCCCCCC(C)CCC(C)C(C)CC
InChIInChI=1S/C15H32/c1-6-8-9-10-13(3)11-12-15(5)14(4)7-2/h13-15H,6-12H2,1-5H3
InChIKeyUOBHCQOJEIGJBM-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 3,4,7-trimethyldodecane

3,4,7-trimethyldodecane (PubChem CID 123406738) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,4,7-trimethyldodecane.

Molecular Properties

Compound Name3,4,7-trimethyldodecane
PubChem CID123406738
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,4,7-trimethyldodecane
SMILESCCCCCC(C)CCC(C)C(C)CC
InChIInChI=1S/C15H32/c1-6-8-9-10-13(3)11-12-15(5)14(4)7-2/h13-15H,6-12H2,1-5H3
InChIKeyUOBHCQOJEIGJBM-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

8,11,12-trimethyltricosane
CID 175564994
9,13,14,17-tetramethyltriacontane
CID 173157426
11,14-dimethylhexacosane
CID 86148083
3,4-dimethyldecane;ethane
CID 170980289
5,8,18,24-tetramethylhentriacontane
CID 6430103
6-methyloctacosane
CID 22223942
(7R)-7-methyltricosane
CID 162971691
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyldodecane?
The IUPAC name of 3,4,7-trimethyldodecane (CID 123406738) is 3,4,7-trimethyldodecane.
What is the SMILES notation for 3,4,7-trimethyldodecane?
The canonical SMILES for 3,4,7-trimethyldodecane is CCCCCC(C)CCC(C)C(C)CC.
What is the InChIKey of 3,4,7-trimethyldodecane?
The InChIKey is UOBHCQOJEIGJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-13(3)11-12-15(5)14(4)7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 3,4,7-trimethyldodecane?
3,4,7-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 3,4,7-trimethyldodecane is sourced from PubChem (CID 123406738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).