3,4-diethyl-3,4-dimethylhexane

C12H26 — CID 526430

IUPAC3,4-diethyl-3,4-dimethylhexane
SMILESCCC(C)(CC)C(C)(CC)CC
InChIInChI=1S/C12H26/c1-7-11(5,8-2)12(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyNTQKWVJMJSYRDX-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds5

About 3,4-diethyl-3,4-dimethylhexane

3,4-diethyl-3,4-dimethylhexane (PubChem CID 526430) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3,4-diethyl-3,4-dimethylhexane.

Molecular Properties

Compound Name3,4-diethyl-3,4-dimethylhexane
PubChem CID526430
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3,4-diethyl-3,4-dimethylhexane
SMILESCCC(C)(CC)C(C)(CC)CC
InChIInChI=1S/C12H26/c1-7-11(5,8-2)12(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyNTQKWVJMJSYRDX-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-3,4-dimethylhexane?
The IUPAC name of 3,4-diethyl-3,4-dimethylhexane (CID 526430) is 3,4-diethyl-3,4-dimethylhexane.
What is the SMILES notation for 3,4-diethyl-3,4-dimethylhexane?
The canonical SMILES for 3,4-diethyl-3,4-dimethylhexane is CCC(C)(CC)C(C)(CC)CC.
What is the InChIKey of 3,4-diethyl-3,4-dimethylhexane?
The InChIKey is NTQKWVJMJSYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-11(5,8-2)12(6,9-3)10-4/h7-10H2,1-6H3.
What are the key properties of 3,4-diethyl-3,4-dimethylhexane?
3,4-diethyl-3,4-dimethylhexane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-3,4-dimethylhexane is sourced from PubChem (CID 526430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).