2-methoxy-2-methylhexan-3-one

C8H16O2 — CID 12696416

IUPAC2-methoxy-2-methylhexan-3-one
SMILESCCCC(=O)C(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-6-7(9)8(2,3)10-4/h5-6H2,1-4H3
InChIKeyFSTKXTPOJQBQII-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds4

About 2-methoxy-2-methylhexan-3-one

2-methoxy-2-methylhexan-3-one (PubChem CID 12696416) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methoxy-2-methylhexan-3-one.

Molecular Properties

Compound Name2-methoxy-2-methylhexan-3-one
PubChem CID12696416
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methoxy-2-methylhexan-3-one
SMILESCCCC(=O)C(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-6-7(9)8(2,3)10-4/h5-6H2,1-4H3
InChIKeyFSTKXTPOJQBQII-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylhexan-3-one?
The IUPAC name of 2-methoxy-2-methylhexan-3-one (CID 12696416) is 2-methoxy-2-methylhexan-3-one.
What is the SMILES notation for 2-methoxy-2-methylhexan-3-one?
The canonical SMILES for 2-methoxy-2-methylhexan-3-one is CCCC(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylhexan-3-one?
The InChIKey is FSTKXTPOJQBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6-7(9)8(2,3)10-4/h5-6H2,1-4H3.
What are the key properties of 2-methoxy-2-methylhexan-3-one?
2-methoxy-2-methylhexan-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylhexan-3-one is sourced from PubChem (CID 12696416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).