3-ethyl-1,2-dimethoxy-3-methylpentane

C10H22O2 — CID 18398352

IUPAC3-ethyl-1,2-dimethoxy-3-methylpentane
SMILESCCC(C)(CC)C(COC)OC
InChIInChI=1S/C10H22O2/c1-6-10(3,7-2)9(12-5)8-11-4/h9H,6-8H2,1-5H3
InChIKeyYQMXNGAAMYHNML-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds6

About 3-ethyl-1,2-dimethoxy-3-methylpentane

3-ethyl-1,2-dimethoxy-3-methylpentane (PubChem CID 18398352) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-ethyl-1,2-dimethoxy-3-methylpentane.

Molecular Properties

Compound Name3-ethyl-1,2-dimethoxy-3-methylpentane
PubChem CID18398352
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-ethyl-1,2-dimethoxy-3-methylpentane
SMILESCCC(C)(CC)C(COC)OC
InChIInChI=1S/C10H22O2/c1-6-10(3,7-2)9(12-5)8-11-4/h9H,6-8H2,1-5H3
InChIKeyYQMXNGAAMYHNML-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dimethoxy-3-methylpentane?
The IUPAC name of 3-ethyl-1,2-dimethoxy-3-methylpentane (CID 18398352) is 3-ethyl-1,2-dimethoxy-3-methylpentane.
What is the SMILES notation for 3-ethyl-1,2-dimethoxy-3-methylpentane?
The canonical SMILES for 3-ethyl-1,2-dimethoxy-3-methylpentane is CCC(C)(CC)C(COC)OC.
What is the InChIKey of 3-ethyl-1,2-dimethoxy-3-methylpentane?
The InChIKey is YQMXNGAAMYHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-10(3,7-2)9(12-5)8-11-4/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-1,2-dimethoxy-3-methylpentane?
3-ethyl-1,2-dimethoxy-3-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dimethoxy-3-methylpentane is sourced from PubChem (CID 18398352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).