3-methoxy-3,4-dimethylpentan-2-one

C8H16O2 — CID 83225040

IUPAC3-methoxy-3,4-dimethylpentan-2-one
SMILESCOC(C)(C(C)=O)C(C)C
InChIInChI=1S/C8H16O2/c1-6(2)8(4,10-5)7(3)9/h6H,1-5H3
InChIKeyZZTHPYYXZKOJKV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds3

About 3-methoxy-3,4-dimethylpentan-2-one

3-methoxy-3,4-dimethylpentan-2-one (PubChem CID 83225040) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methoxy-3,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-methoxy-3,4-dimethylpentan-2-one
PubChem CID83225040
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methoxy-3,4-dimethylpentan-2-one
SMILESCOC(C)(C(C)=O)C(C)C
InChIInChI=1S/C8H16O2/c1-6(2)8(4,10-5)7(3)9/h6H,1-5H3
InChIKeyZZTHPYYXZKOJKV-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
2-(2-methoxy-3-oxobutan-2-yl)butanedioic acid
CID 58012582
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
4,4-dimethoxy-3-methylpentan-2-one
CID 90464401
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
3,4-dimethyl-3-sulfanylpentan-2-one
CID 88635465
2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
CID 103377767
(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
(4S)-4-bromo-4-methoxy-3,3-dimethylbutan-2-one
CID 135368669
4,4-dimethoxy-2,5-dimethylhexan-3-one
CID 21326054
3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
CID 153381905
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,4-dimethylpentan-2-one?
The IUPAC name of 3-methoxy-3,4-dimethylpentan-2-one (CID 83225040) is 3-methoxy-3,4-dimethylpentan-2-one.
What is the SMILES notation for 3-methoxy-3,4-dimethylpentan-2-one?
The canonical SMILES for 3-methoxy-3,4-dimethylpentan-2-one is COC(C)(C(C)=O)C(C)C.
What is the InChIKey of 3-methoxy-3,4-dimethylpentan-2-one?
The InChIKey is ZZTHPYYXZKOJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)8(4,10-5)7(3)9/h6H,1-5H3.
What are the key properties of 3-methoxy-3,4-dimethylpentan-2-one?
3-methoxy-3,4-dimethylpentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,4-dimethylpentan-2-one is sourced from PubChem (CID 83225040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).