2-ethoxy-6-methoxy-6-methylheptan-3-one

C11H22O3 — CID 103035323

IUPAC2-ethoxy-6-methoxy-6-methylheptan-3-one
SMILESCCOC(C)C(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-14-9(2)10(12)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3
InChIKeyZSTIMOWKIJLLDV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.19
Rot. Bonds7

About 2-ethoxy-6-methoxy-6-methylheptan-3-one

2-ethoxy-6-methoxy-6-methylheptan-3-one (PubChem CID 103035323) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-6-methylheptan-3-one.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-6-methylheptan-3-one
PubChem CID103035323
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethoxy-6-methoxy-6-methylheptan-3-one
SMILESCCOC(C)C(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-14-9(2)10(12)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3
InChIKeyZSTIMOWKIJLLDV-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-6-methylheptan-3-one?
The IUPAC name of 2-ethoxy-6-methoxy-6-methylheptan-3-one (CID 103035323) is 2-ethoxy-6-methoxy-6-methylheptan-3-one.
What is the SMILES notation for 2-ethoxy-6-methoxy-6-methylheptan-3-one?
The canonical SMILES for 2-ethoxy-6-methoxy-6-methylheptan-3-one is CCOC(C)C(=O)CCC(C)(C)OC.
What is the InChIKey of 2-ethoxy-6-methoxy-6-methylheptan-3-one?
The InChIKey is ZSTIMOWKIJLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-14-9(2)10(12)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-6-methoxy-6-methylheptan-3-one?
2-ethoxy-6-methoxy-6-methylheptan-3-one has a molecular weight of 202.29 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-6-methylheptan-3-one is sourced from PubChem (CID 103035323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).