2,2,3-triethoxy-3-methyloxane

C12H24O4 — CID 150971833

IUPAC2,2,3-triethoxy-3-methyloxane
SMILESCCOC1(C)CCCOC1(OCC)OCC
InChIInChI=1S/C12H24O4/c1-5-13-11(4)9-8-10-16-12(11,14-6-2)15-7-3/h5-10H2,1-4H3
InChIKeyLOGRAJASBDIUOH-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.32
Rot. Bonds6

About 2,2,3-triethoxy-3-methyloxane

2,2,3-triethoxy-3-methyloxane (PubChem CID 150971833) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2,3-triethoxy-3-methyloxane.

Molecular Properties

Compound Name2,2,3-triethoxy-3-methyloxane
PubChem CID150971833
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2,2,3-triethoxy-3-methyloxane
SMILESCCOC1(C)CCCOC1(OCC)OCC
InChIInChI=1S/C12H24O4/c1-5-13-11(4)9-8-10-16-12(11,14-6-2)15-7-3/h5-10H2,1-4H3
InChIKeyLOGRAJASBDIUOH-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3-triethoxy-3-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
CID 158466824
ethene;2-ethoxy-2-methyloxane
CID 162017972
N,N-diethylethanamine;oxolane-2,2-diol
CID 175310539
[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate
CID 123973894
ethane;4-ethoxy-4-methyloxane
CID 143599120
2-methyl-2-[(2-methyloxolan-2-yl)methoxymethyl]oxolane
CID 66639597
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
CID 71376373
CID 71376373
cyclopropane;ethoxyethane
CID 66628598
cyclobutane;ethoxyethane
CID 66599316
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478

Frequently Asked Questions

What is the IUPAC name of 2,2,3-triethoxy-3-methyloxane?
The IUPAC name of 2,2,3-triethoxy-3-methyloxane (CID 150971833) is 2,2,3-triethoxy-3-methyloxane.
What is the SMILES notation for 2,2,3-triethoxy-3-methyloxane?
The canonical SMILES for 2,2,3-triethoxy-3-methyloxane is CCOC1(C)CCCOC1(OCC)OCC.
What is the InChIKey of 2,2,3-triethoxy-3-methyloxane?
The InChIKey is LOGRAJASBDIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-13-11(4)9-8-10-16-12(11,14-6-2)15-7-3/h5-10H2,1-4H3.
What are the key properties of 2,2,3-triethoxy-3-methyloxane?
2,2,3-triethoxy-3-methyloxane has a molecular weight of 232.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethoxy-3-methyloxane is sourced from PubChem (CID 150971833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).