1,3-diethoxy-2-(ethoxymethyl)propane

C10H22O3 — CID 10943284

IUPAC1,3-diethoxy-2-(ethoxymethyl)propane
SMILESCCOCC(COCC)COCC
InChIInChI=1S/C10H22O3/c1-4-11-7-10(8-12-5-2)9-13-6-3/h10H,4-9H2,1-3H3
InChIKeyYOWKDAOXQAQRPN-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.71
Rot. Bonds9

About 1,3-diethoxy-2-(ethoxymethyl)propane

1,3-diethoxy-2-(ethoxymethyl)propane (PubChem CID 10943284) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1,3-diethoxy-2-(ethoxymethyl)propane.

Molecular Properties

Compound Name1,3-diethoxy-2-(ethoxymethyl)propane
PubChem CID10943284
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1,3-diethoxy-2-(ethoxymethyl)propane
SMILESCCOCC(COCC)COCC
InChIInChI=1S/C10H22O3/c1-4-11-7-10(8-12-5-2)9-13-6-3/h10H,4-9H2,1-3H3
InChIKeyYOWKDAOXQAQRPN-UHFFFAOYSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2-(ethoxymethyl)propane?
The IUPAC name of 1,3-diethoxy-2-(ethoxymethyl)propane (CID 10943284) is 1,3-diethoxy-2-(ethoxymethyl)propane.
What is the SMILES notation for 1,3-diethoxy-2-(ethoxymethyl)propane?
The canonical SMILES for 1,3-diethoxy-2-(ethoxymethyl)propane is CCOCC(COCC)COCC.
What is the InChIKey of 1,3-diethoxy-2-(ethoxymethyl)propane?
The InChIKey is YOWKDAOXQAQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-11-7-10(8-12-5-2)9-13-6-3/h10H,4-9H2,1-3H3.
What are the key properties of 1,3-diethoxy-2-(ethoxymethyl)propane?
1,3-diethoxy-2-(ethoxymethyl)propane has a molecular weight of 190.28 g/mol, XLogP of 1.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2-(ethoxymethyl)propane is sourced from PubChem (CID 10943284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).