5-methoxy-4,4-dimethylpentan-2-one

C8H16O2 — CID 54387019

IUPAC5-methoxy-4,4-dimethylpentan-2-one
SMILESCOCC(C)(C)CC(C)=O
InChIInChI=1S/C8H16O2/c1-7(9)5-8(2,3)6-10-4/h5-6H2,1-4H3
InChIKeyVDYNZAQTIARXKG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds4

About 5-methoxy-4,4-dimethylpentan-2-one

5-methoxy-4,4-dimethylpentan-2-one (PubChem CID 54387019) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-methoxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name5-methoxy-4,4-dimethylpentan-2-one
PubChem CID54387019
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-methoxy-4,4-dimethylpentan-2-one
SMILESCOCC(C)(C)CC(C)=O
InChIInChI=1S/C8H16O2/c1-7(9)5-8(2,3)6-10-4/h5-6H2,1-4H3
InChIKeyVDYNZAQTIARXKG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-4,4-dimethyloctan-2-one
CID 21344820
4-hydroxy-4-methylpentan-2-one;methoxymethane
CID 87184803
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]acetamide
CID 126717366
3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088
CID 159178711
CID 159178711
4-hydroxy-4-methylpentan-2-one
CID 87257073
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
5-tert-butylsulfanyl-4,4-dimethylpentan-2-one
CID 87530753
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
ethyl 2-(methoxymethyl)-2-methyl-3-oxobutanoate
CID 6420389

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,4-dimethylpentan-2-one?
The IUPAC name of 5-methoxy-4,4-dimethylpentan-2-one (CID 54387019) is 5-methoxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for 5-methoxy-4,4-dimethylpentan-2-one?
The canonical SMILES for 5-methoxy-4,4-dimethylpentan-2-one is COCC(C)(C)CC(C)=O.
What is the InChIKey of 5-methoxy-4,4-dimethylpentan-2-one?
The InChIKey is VDYNZAQTIARXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(9)5-8(2,3)6-10-4/h5-6H2,1-4H3.
What are the key properties of 5-methoxy-4,4-dimethylpentan-2-one?
5-methoxy-4,4-dimethylpentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 54387019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).