3,4-diethylhexane;ethane

C16H40 — CID 178112158

IUPAC3,4-diethylhexane;ethane
SMILESCC.CC.CC.CCC(CC)C(CC)CC
InChIInChI=1S/C10H22.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h9-10H,5-8H2,1-4H3;3*1-2H3
InChIKeyUBATUXYRWJEDIV-UHFFFAOYSA-N
MW232.50 g/mol
LogP6.94
Rot. Bonds5

About 3,4-diethylhexane;ethane

3,4-diethylhexane;ethane (PubChem CID 178112158) has the molecular formula C16H40 and a molecular weight of 232.50 g/mol. Its IUPAC name is 3,4-diethylhexane;ethane.

Molecular Properties

Compound Name3,4-diethylhexane;ethane
PubChem CID178112158
Molecular FormulaC16H40
Molecular Weight232.50 g/mol
Exact Mass232.31
IUPAC Name3,4-diethylhexane;ethane
SMILESCC.CC.CC.CCC(CC)C(CC)CC
InChIInChI=1S/C10H22.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h9-10H,5-8H2,1-4H3;3*1-2H3
InChIKeyUBATUXYRWJEDIV-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-diethylheptane;ethane
CID 144734225
ethane;4-ethylhexan-3-ol
CID 142939598
3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
tris(3,4-diethylheptane);methane
CID 160558798
(4R)-3-ethyl-4-methylhexane
CID 59954491
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
4,5-diethyloctane
CID 519254
3,4-diethylhexanal
CID 141064811
4,5-diethylhept-1-ene
CID 123746760
3-ethyl-2-fluoropentane
CID 144624740
4,5-diethyl-1-fluoroheptane
CID 123254760
ethane;3-methylpentane
CID 91147782

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylhexane;ethane?
The IUPAC name of 3,4-diethylhexane;ethane (CID 178112158) is 3,4-diethylhexane;ethane.
What is the SMILES notation for 3,4-diethylhexane;ethane?
The canonical SMILES for 3,4-diethylhexane;ethane is CC.CC.CC.CCC(CC)C(CC)CC.
What is the InChIKey of 3,4-diethylhexane;ethane?
The InChIKey is UBATUXYRWJEDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h9-10H,5-8H2,1-4H3;3*1-2H3.
What are the key properties of 3,4-diethylhexane;ethane?
3,4-diethylhexane;ethane has a molecular weight of 232.50 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylhexane;ethane is sourced from PubChem (CID 178112158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).