3,3,4,4-tetraethylhexane

C14H30 — CID 10932438

IUPAC3,3,4,4-tetraethylhexane
SMILESCCC(CC)(CC)C(CC)(CC)CC
InChIInChI=1S/C14H30/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyPGZWQYVRUOIRTH-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds7

About 3,3,4,4-tetraethylhexane

3,3,4,4-tetraethylhexane (PubChem CID 10932438) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,3,4,4-tetraethylhexane.

Molecular Properties

Compound Name3,3,4,4-tetraethylhexane
PubChem CID10932438
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,3,4,4-tetraethylhexane
SMILESCCC(CC)(CC)C(CC)(CC)CC
InChIInChI=1S/C14H30/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyPGZWQYVRUOIRTH-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetraethylhexane?
The IUPAC name of 3,3,4,4-tetraethylhexane (CID 10932438) is 3,3,4,4-tetraethylhexane.
What is the SMILES notation for 3,3,4,4-tetraethylhexane?
The canonical SMILES for 3,3,4,4-tetraethylhexane is CCC(CC)(CC)C(CC)(CC)CC.
What is the InChIKey of 3,3,4,4-tetraethylhexane?
The InChIKey is PGZWQYVRUOIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3.
What are the key properties of 3,3,4,4-tetraethylhexane?
3,3,4,4-tetraethylhexane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetraethylhexane is sourced from PubChem (CID 10932438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).