1,2-dimethoxy-2-methylpentan-3-one

C8H16O3 — CID 83225929

IUPAC1,2-dimethoxy-2-methylpentan-3-one
SMILESCCC(=O)C(C)(COC)OC
InChIInChI=1S/C8H16O3/c1-5-7(9)8(2,11-4)6-10-3/h5-6H2,1-4H3
InChIKeyRWAKAVSNQVQQPW-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds5

About 1,2-dimethoxy-2-methylpentan-3-one

1,2-dimethoxy-2-methylpentan-3-one (PubChem CID 83225929) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,2-dimethoxy-2-methylpentan-3-one.

Molecular Properties

Compound Name1,2-dimethoxy-2-methylpentan-3-one
PubChem CID83225929
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,2-dimethoxy-2-methylpentan-3-one
SMILESCCC(=O)C(C)(COC)OC
InChIInChI=1S/C8H16O3/c1-5-7(9)8(2,11-4)6-10-3/h5-6H2,1-4H3
InChIKeyRWAKAVSNQVQQPW-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
(4S,5S)-4-ethyl-4,5-dihydroxy-5-methoxyhexan-3-one
CID 97050418
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
3-methoxy-3-methylhexan-2-one
CID 83225432
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584
1-methoxy-2,2,6,6-tetramethylheptane-3,5-dione
CID 87103469
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
1-chloro-3-methoxy-3-methylbutan-2-one
CID 12922156
2,2-diethoxypentan-3-one
CID 163406008
2,2-difluoropentan-3-one
CID 23462566

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-2-methylpentan-3-one?
The IUPAC name of 1,2-dimethoxy-2-methylpentan-3-one (CID 83225929) is 1,2-dimethoxy-2-methylpentan-3-one.
What is the SMILES notation for 1,2-dimethoxy-2-methylpentan-3-one?
The canonical SMILES for 1,2-dimethoxy-2-methylpentan-3-one is CCC(=O)C(C)(COC)OC.
What is the InChIKey of 1,2-dimethoxy-2-methylpentan-3-one?
The InChIKey is RWAKAVSNQVQQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-7(9)8(2,11-4)6-10-3/h5-6H2,1-4H3.
What are the key properties of 1,2-dimethoxy-2-methylpentan-3-one?
1,2-dimethoxy-2-methylpentan-3-one has a molecular weight of 160.21 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-2-methylpentan-3-one is sourced from PubChem (CID 83225929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).