1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane

C10H22O4 — CID 58765891

IUPAC1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
SMILESCCOC(OCC)C(COC)COC
InChIInChI=1S/C10H22O4/c1-5-13-10(14-6-2)9(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyAICVDPPDUVRHOI-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.29
Rot. Bonds9

About 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane

1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane (PubChem CID 58765891) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
PubChem CID58765891
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
SMILESCCOC(OCC)C(COC)COC
InChIInChI=1S/C10H22O4/c1-5-13-10(14-6-2)9(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyAICVDPPDUVRHOI-UHFFFAOYSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane?
The IUPAC name of 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane (CID 58765891) is 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane.
What is the SMILES notation for 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane?
The canonical SMILES for 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane is CCOC(OCC)C(COC)COC.
What is the InChIKey of 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane?
The InChIKey is AICVDPPDUVRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-5-13-10(14-6-2)9(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane?
1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane has a molecular weight of 206.28 g/mol, XLogP of 1.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane is sourced from PubChem (CID 58765891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).