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

C8H16O3 — CID 560094

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

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

1,3-dimethoxy-3-methylpentan-2-one (PubChem CID 560094) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,3-dimethoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name1,3-dimethoxy-3-methylpentan-2-one
PubChem CID560094
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,3-dimethoxy-3-methylpentan-2-one
SMILESCCC(C)(OC)C(=O)COC
InChIInChI=1S/C8H16O3/c1-5-8(2,11-4)7(9)6-10-3/h5-6H2,1-4H3
InChIKeyRVPHFNANXFUGCC-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

1-(4-Methoxyoxan-4-yl)ethan-1-one
CID 45086119
1-Methoxy-3-methyl-2-pentanone
CID 13108540
3-Ethoxy-3-methylpentan-2-one
CID 12280335
1-[(2-Methylpropan-2-yl)oxy]pentan-2-one
CID 12696216
2-Methoxy-2-methylhexan-3-one
CID 12696416
3-Ethoxy-1-methoxy-3-methylbutan-2-one
CID 23405010
1-Methoxy-3,3-dimethylpentan-2-one
CID 55268781
(3-Acetyloxy-3-methyl-4-oxopentyl) acetate
CID 57169833
4-Methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 58375752
CID 59303741
CID 59303741
2,4-Dimethyl-2,4-dipropoxypentan-3-one
CID 69860593
3-Methyl-1-propan-2-yloxypentan-2-one
CID 79567978

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-3-methylpentan-2-one?
The IUPAC name of 1,3-dimethoxy-3-methylpentan-2-one (CID 560094) is 1,3-dimethoxy-3-methylpentan-2-one.
What is the SMILES notation for 1,3-dimethoxy-3-methylpentan-2-one?
The canonical SMILES for 1,3-dimethoxy-3-methylpentan-2-one is CCC(C)(OC)C(=O)COC.
What is the InChIKey of 1,3-dimethoxy-3-methylpentan-2-one?
The InChIKey is RVPHFNANXFUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-8(2,11-4)7(9)6-10-3/h5-6H2,1-4H3.
What are the key properties of 1,3-dimethoxy-3-methylpentan-2-one?
1,3-dimethoxy-3-methylpentan-2-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 1,3-dimethoxy-3-methylpentan-2-one is sourced from PubChem (CID 560094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).