2,2-dimethyldecane

C12H26 — CID 28459

IUPAC2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)C
InChIInChI=1S/C12H26/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3
InChIKeyWBWYXWILSHQILH-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.78
Rot. Bonds6

About 2,2-dimethyldecane

2,2-dimethyldecane (PubChem CID 28459) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,2-dimethyldecane.

Molecular Properties

Compound Name2,2-dimethyldecane
PubChem CID28459
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)C
InChIInChI=1S/C12H26/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3
InChIKeyWBWYXWILSHQILH-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldecane?
The IUPAC name of 2,2-dimethyldecane (CID 28459) is 2,2-dimethyldecane.
What is the SMILES notation for 2,2-dimethyldecane?
The canonical SMILES for 2,2-dimethyldecane is CCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethyldecane?
The InChIKey is WBWYXWILSHQILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2,2-dimethyldecane?
2,2-dimethyldecane has a molecular weight of 170.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldecane is sourced from PubChem (CID 28459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).