2,3,4-triethoxy-3-methylpentane

C12H26O3 — CID 89361846

IUPAC2,3,4-triethoxy-3-methylpentane
SMILESCCOC(C)C(C)(OCC)C(C)OCC
InChIInChI=1S/C12H26O3/c1-7-13-10(4)12(6,15-9-3)11(5)14-8-2/h10-11H,7-9H2,1-6H3
InChIKeyDWNXXWABWUWILX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.63
Rot. Bonds8

About 2,3,4-triethoxy-3-methylpentane

2,3,4-triethoxy-3-methylpentane (PubChem CID 89361846) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3,4-triethoxy-3-methylpentane.

Molecular Properties

Compound Name2,3,4-triethoxy-3-methylpentane
PubChem CID89361846
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2,3,4-triethoxy-3-methylpentane
SMILESCCOC(C)C(C)(OCC)C(C)OCC
InChIInChI=1S/C12H26O3/c1-7-13-10(4)12(6,15-9-3)11(5)14-8-2/h10-11H,7-9H2,1-6H3
InChIKeyDWNXXWABWUWILX-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triethoxy-3-methylpentane?
The IUPAC name of 2,3,4-triethoxy-3-methylpentane (CID 89361846) is 2,3,4-triethoxy-3-methylpentane.
What is the SMILES notation for 2,3,4-triethoxy-3-methylpentane?
The canonical SMILES for 2,3,4-triethoxy-3-methylpentane is CCOC(C)C(C)(OCC)C(C)OCC.
What is the InChIKey of 2,3,4-triethoxy-3-methylpentane?
The InChIKey is DWNXXWABWUWILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-7-13-10(4)12(6,15-9-3)11(5)14-8-2/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,3,4-triethoxy-3-methylpentane?
2,3,4-triethoxy-3-methylpentane has a molecular weight of 218.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triethoxy-3-methylpentane is sourced from PubChem (CID 89361846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).