3,4-diethoxy-3,4-diethylhexane

C14H30O2 — CID 87339419

IUPAC3,4-diethoxy-3,4-diethylhexane
SMILESCCOC(CC)(CC)C(CC)(CC)OCC
InChIInChI=1S/C14H30O2/c1-7-13(8-2,15-11-5)14(9-3,10-4)16-12-6/h7-12H2,1-6H3
InChIKeyFXNFULNUTQHNHE-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.18
Rot. Bonds9

About 3,4-diethoxy-3,4-diethylhexane

3,4-diethoxy-3,4-diethylhexane (PubChem CID 87339419) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,4-diethoxy-3,4-diethylhexane.

Molecular Properties

Compound Name3,4-diethoxy-3,4-diethylhexane
PubChem CID87339419
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3,4-diethoxy-3,4-diethylhexane
SMILESCCOC(CC)(CC)C(CC)(CC)OCC
InChIInChI=1S/C14H30O2/c1-7-13(8-2,15-11-5)14(9-3,10-4)16-12-6/h7-12H2,1-6H3
InChIKeyFXNFULNUTQHNHE-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-3,4-diethylhexane?
The IUPAC name of 3,4-diethoxy-3,4-diethylhexane (CID 87339419) is 3,4-diethoxy-3,4-diethylhexane.
What is the SMILES notation for 3,4-diethoxy-3,4-diethylhexane?
The canonical SMILES for 3,4-diethoxy-3,4-diethylhexane is CCOC(CC)(CC)C(CC)(CC)OCC.
What is the InChIKey of 3,4-diethoxy-3,4-diethylhexane?
The InChIKey is FXNFULNUTQHNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-7-13(8-2,15-11-5)14(9-3,10-4)16-12-6/h7-12H2,1-6H3.
What are the key properties of 3,4-diethoxy-3,4-diethylhexane?
3,4-diethoxy-3,4-diethylhexane has a molecular weight of 230.39 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-3,4-diethylhexane is sourced from PubChem (CID 87339419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).