3,3-diethoxy-1,1-dimethoxybutane

C10H22O4 — CID 57235388

IUPAC3,3-diethoxy-1,1-dimethoxybutane
SMILESCCOC(C)(CC(OC)OC)OCC
InChIInChI=1S/C10H22O4/c1-6-13-10(3,14-7-2)8-9(11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyBORBYPRTITYFRE-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.78
Rot. Bonds8

About 3,3-diethoxy-1,1-dimethoxybutane

3,3-diethoxy-1,1-dimethoxybutane (PubChem CID 57235388) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,3-diethoxy-1,1-dimethoxybutane.

Molecular Properties

Compound Name3,3-diethoxy-1,1-dimethoxybutane
PubChem CID57235388
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name3,3-diethoxy-1,1-dimethoxybutane
SMILESCCOC(C)(CC(OC)OC)OCC
InChIInChI=1S/C10H22O4/c1-6-13-10(3,14-7-2)8-9(11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyBORBYPRTITYFRE-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.78
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 3,3-diethoxy-1,1-dimethoxybutane?
The IUPAC name of 3,3-diethoxy-1,1-dimethoxybutane (CID 57235388) is 3,3-diethoxy-1,1-dimethoxybutane.
What is the SMILES notation for 3,3-diethoxy-1,1-dimethoxybutane?
The canonical SMILES for 3,3-diethoxy-1,1-dimethoxybutane is CCOC(C)(CC(OC)OC)OCC.
What is the InChIKey of 3,3-diethoxy-1,1-dimethoxybutane?
The InChIKey is BORBYPRTITYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-6-13-10(3,14-7-2)8-9(11-4)12-5/h9H,6-8H2,1-5H3.
What are the key properties of 3,3-diethoxy-1,1-dimethoxybutane?
3,3-diethoxy-1,1-dimethoxybutane has a molecular weight of 206.28 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-1,1-dimethoxybutane is sourced from PubChem (CID 57235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).