4,4,7-trimethyldodecane

C15H32 — CID 91411996

IUPAC4,4,7-trimethyldodecane
SMILESCCCCCC(C)CCC(C)(C)CCC
InChIInChI=1S/C15H32/c1-6-8-9-10-14(3)11-13-15(4,5)12-7-2/h14H,6-13H2,1-5H3
InChIKeyWSKCQLHBAPWWKL-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds9

About 4,4,7-trimethyldodecane

4,4,7-trimethyldodecane (PubChem CID 91411996) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4,4,7-trimethyldodecane.

Molecular Properties

Compound Name4,4,7-trimethyldodecane
PubChem CID91411996
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4,4,7-trimethyldodecane
SMILESCCCCCC(C)CCC(C)(C)CCC
InChIInChI=1S/C15H32/c1-6-8-9-10-14(3)11-13-15(4,5)12-7-2/h14H,6-13H2,1-5H3
InChIKeyWSKCQLHBAPWWKL-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
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

3-ethyl-9,12,12-trimethylpentadecane
CID 123730767
4,4,6,12-tetramethyloctadecane
CID 123154666
2,2,5-trimethyldodecane
CID 54169953
5,5-dimethylnonane;5-methylnonane
CID 158755954
4,7,7,10-tetramethyltridecane
CID 123261465
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574
1,1,1-trifluoro-4-methyldecane
CID 147899191
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyldodecane?
The IUPAC name of 4,4,7-trimethyldodecane (CID 91411996) is 4,4,7-trimethyldodecane.
What is the SMILES notation for 4,4,7-trimethyldodecane?
The canonical SMILES for 4,4,7-trimethyldodecane is CCCCCC(C)CCC(C)(C)CCC.
What is the InChIKey of 4,4,7-trimethyldodecane?
The InChIKey is WSKCQLHBAPWWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-14(3)11-13-15(4,5)12-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 4,4,7-trimethyldodecane?
4,4,7-trimethyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyldodecane is sourced from PubChem (CID 91411996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).