3-methoxy-3-methylhexan-2-one

C8H16O2 — CID 83225432

IUPAC3-methoxy-3-methylhexan-2-one
SMILESCCCC(C)(OC)C(C)=O
InChIInChI=1S/C8H16O2/c1-5-6-8(3,10-4)7(2)9/h5-6H2,1-4H3
InChIKeyRKTITZUSDSHDPL-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds4

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

3-methoxy-3-methylhexan-2-one (PubChem CID 83225432) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methoxy-3-methylhexan-2-one.

Molecular Properties

Compound Name3-methoxy-3-methylhexan-2-one
PubChem CID83225432
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methoxy-3-methylhexan-2-one
SMILESCCCC(C)(OC)C(C)=O
InChIInChI=1S/C8H16O2/c1-5-6-8(3,10-4)7(2)9/h5-6H2,1-4H3
InChIKeyRKTITZUSDSHDPL-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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Related Compounds

3-methoxy-3-methylheptan-2-one
CID 87290850
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
acetic acid;2-methoxypentan-2-ol
CID 130404021
3-fluoro-3-methylhexan-2-one
CID 157210993
methyl 2-methoxy-2-methylhexanoate
CID 91619299
(2-methyl-2-propylpentyl) acetate
CID 89417633
2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate
CID 175770765
4-aminooxy-3,4-dimethyl-3-propylhexan-2-one
CID 163766830
methyl 2-methoxy-2-methylhexaneperoxoate
CID 174751115
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylhexan-2-one?
The IUPAC name of 3-methoxy-3-methylhexan-2-one (CID 83225432) is 3-methoxy-3-methylhexan-2-one.
What is the SMILES notation for 3-methoxy-3-methylhexan-2-one?
The canonical SMILES for 3-methoxy-3-methylhexan-2-one is CCCC(C)(OC)C(C)=O.
What is the InChIKey of 3-methoxy-3-methylhexan-2-one?
The InChIKey is RKTITZUSDSHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6-8(3,10-4)7(2)9/h5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methylhexan-2-one?
3-methoxy-3-methylhexan-2-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 3-methoxy-3-methylhexan-2-one is sourced from PubChem (CID 83225432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).