3,3-dimethyldodecane

C14H30 — CID 15930786

IUPAC3,3-dimethyldodecane
SMILESCCCCCCCCCC(C)(C)CC
InChIInChI=1S/C14H30/c1-5-7-8-9-10-11-12-13-14(3,4)6-2/h5-13H2,1-4H3
InChIKeyYNNCOUORICNEOU-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.56
Rot. Bonds9

About 3,3-dimethyldodecane

3,3-dimethyldodecane (PubChem CID 15930786) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,3-dimethyldodecane.

Molecular Properties

Compound Name3,3-dimethyldodecane
PubChem CID15930786
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,3-dimethyldodecane
SMILESCCCCCCCCCC(C)(C)CC
InChIInChI=1S/C14H30/c1-5-7-8-9-10-11-12-13-14(3,4)6-2/h5-13H2,1-4H3
InChIKeyYNNCOUORICNEOU-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.56
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

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3,3,9,9-tetramethylundecane
CID 20661116
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyloctan-1-amine
CID 62739423
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
4,4-dimethyltridecan-1-amine
CID 172686024
2,2-dimethyldecan-1-ol
CID 520069
1-bromo-2,2-dimethyldecane
CID 66048838
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldodecane?
The IUPAC name of 3,3-dimethyldodecane (CID 15930786) is 3,3-dimethyldodecane.
What is the SMILES notation for 3,3-dimethyldodecane?
The canonical SMILES for 3,3-dimethyldodecane is CCCCCCCCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethyldodecane?
The InChIKey is YNNCOUORICNEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-5-7-8-9-10-11-12-13-14(3,4)6-2/h5-13H2,1-4H3.
What are the key properties of 3,3-dimethyldodecane?
3,3-dimethyldodecane has a molecular weight of 198.39 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldodecane is sourced from PubChem (CID 15930786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).