3,4-diethoxy-3-ethylhexane

C12H26O2 — CID 22991069

IUPAC3,4-diethoxy-3-ethylhexane
SMILESCCOC(CC)C(CC)(CC)OCC
InChIInChI=1S/C12H26O2/c1-6-11(13-9-4)12(7-2,8-3)14-10-5/h11H,6-10H2,1-5H3
InChIKeyLXKUGBBVBHQXKV-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds8

About 3,4-diethoxy-3-ethylhexane

3,4-diethoxy-3-ethylhexane (PubChem CID 22991069) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3,4-diethoxy-3-ethylhexane.

Molecular Properties

Compound Name3,4-diethoxy-3-ethylhexane
PubChem CID22991069
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3,4-diethoxy-3-ethylhexane
SMILESCCOC(CC)C(CC)(CC)OCC
InChIInChI=1S/C12H26O2/c1-6-11(13-9-4)12(7-2,8-3)14-10-5/h11H,6-10H2,1-5H3
InChIKeyLXKUGBBVBHQXKV-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
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-ethylhexane?
The IUPAC name of 3,4-diethoxy-3-ethylhexane (CID 22991069) is 3,4-diethoxy-3-ethylhexane.
What is the SMILES notation for 3,4-diethoxy-3-ethylhexane?
The canonical SMILES for 3,4-diethoxy-3-ethylhexane is CCOC(CC)C(CC)(CC)OCC.
What is the InChIKey of 3,4-diethoxy-3-ethylhexane?
The InChIKey is LXKUGBBVBHQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-11(13-9-4)12(7-2,8-3)14-10-5/h11H,6-10H2,1-5H3.
What are the key properties of 3,4-diethoxy-3-ethylhexane?
3,4-diethoxy-3-ethylhexane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-3-ethylhexane is sourced from PubChem (CID 22991069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).