2,2,3,3-tetramethyloctane

C12H26 — CID 3033849

IUPAC2,2,3,3-tetramethyloctane
SMILESCCCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-8-9-10-12(5,6)11(2,3)4/h7-10H2,1-6H3
InChIKeyUXQAEOWCSOPBLF-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds4

About 2,2,3,3-tetramethyloctane

2,2,3,3-tetramethyloctane (PubChem CID 3033849) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,2,3,3-tetramethyloctane.

Molecular Properties

Compound Name2,2,3,3-tetramethyloctane
PubChem CID3033849
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,2,3,3-tetramethyloctane
SMILESCCCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-8-9-10-12(5,6)11(2,3)4/h7-10H2,1-6H3
InChIKeyUXQAEOWCSOPBLF-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
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 2,2,3,3-tetramethyloctane?
The IUPAC name of 2,2,3,3-tetramethyloctane (CID 3033849) is 2,2,3,3-tetramethyloctane.
What is the SMILES notation for 2,2,3,3-tetramethyloctane?
The canonical SMILES for 2,2,3,3-tetramethyloctane is CCCCCC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyloctane?
The InChIKey is UXQAEOWCSOPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-8-9-10-12(5,6)11(2,3)4/h7-10H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyloctane?
2,2,3,3-tetramethyloctane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyloctane is sourced from PubChem (CID 3033849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).