1,3-diethoxy-2,2-dimethylpropane

C9H20O2 — CID 12698290

IUPAC1,3-diethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)COCC
InChIInChI=1S/C9H20O2/c1-5-10-7-9(3,4)8-11-6-2/h5-8H2,1-4H3
InChIKeyPXNCJMOUZFENEM-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds6

About 1,3-diethoxy-2,2-dimethylpropane

1,3-diethoxy-2,2-dimethylpropane (PubChem CID 12698290) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,3-diethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-diethoxy-2,2-dimethylpropane
PubChem CID12698290
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,3-diethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)COCC
InChIInChI=1S/C9H20O2/c1-5-10-7-9(3,4)8-11-6-2/h5-8H2,1-4H3
InChIKeyPXNCJMOUZFENEM-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2,2-dimethylpropane?
The IUPAC name of 1,3-diethoxy-2,2-dimethylpropane (CID 12698290) is 1,3-diethoxy-2,2-dimethylpropane.
What is the SMILES notation for 1,3-diethoxy-2,2-dimethylpropane?
The canonical SMILES for 1,3-diethoxy-2,2-dimethylpropane is CCOCC(C)(C)COCC.
What is the InChIKey of 1,3-diethoxy-2,2-dimethylpropane?
The InChIKey is PXNCJMOUZFENEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-10-7-9(3,4)8-11-6-2/h5-8H2,1-4H3.
What are the key properties of 1,3-diethoxy-2,2-dimethylpropane?
1,3-diethoxy-2,2-dimethylpropane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2,2-dimethylpropane is sourced from PubChem (CID 12698290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).