1,2-diethoxy-3,3-dimethylbutane

C10H22O2 — CID 18398350

IUPAC1,2-diethoxy-3,3-dimethylbutane
SMILESCCOCC(OCC)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-6-11-8-9(12-7-2)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyMYXQIFZEUSZHFK-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds5

About 1,2-diethoxy-3,3-dimethylbutane

1,2-diethoxy-3,3-dimethylbutane (PubChem CID 18398350) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,2-diethoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1,2-diethoxy-3,3-dimethylbutane
PubChem CID18398350
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,2-diethoxy-3,3-dimethylbutane
SMILESCCOCC(OCC)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-6-11-8-9(12-7-2)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyMYXQIFZEUSZHFK-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3,3-dimethylbutane?
The IUPAC name of 1,2-diethoxy-3,3-dimethylbutane (CID 18398350) is 1,2-diethoxy-3,3-dimethylbutane.
What is the SMILES notation for 1,2-diethoxy-3,3-dimethylbutane?
The canonical SMILES for 1,2-diethoxy-3,3-dimethylbutane is CCOCC(OCC)C(C)(C)C.
What is the InChIKey of 1,2-diethoxy-3,3-dimethylbutane?
The InChIKey is MYXQIFZEUSZHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-11-8-9(12-7-2)10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1,2-diethoxy-3,3-dimethylbutane?
1,2-diethoxy-3,3-dimethylbutane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3,3-dimethylbutane is sourced from PubChem (CID 18398350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).