1-methoxy-3-(2-methylpropoxy)propan-2-one

C8H16O3 — CID 107507918

IUPAC1-methoxy-3-(2-methylpropoxy)propan-2-one
SMILESCOCC(=O)COCC(C)C
InChIInChI=1S/C8H16O3/c1-7(2)4-11-6-8(9)5-10-3/h7H,4-6H2,1-3H3
InChIKeyVPCHUKAQDLZEAI-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.87
Rot. Bonds6

About 1-methoxy-3-(2-methylpropoxy)propan-2-one

1-methoxy-3-(2-methylpropoxy)propan-2-one (PubChem CID 107507918) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylpropoxy)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(2-methylpropoxy)propan-2-one
PubChem CID107507918
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-methoxy-3-(2-methylpropoxy)propan-2-one
SMILESCOCC(=O)COCC(C)C
InChIInChI=1S/C8H16O3/c1-7(2)4-11-6-8(9)5-10-3/h7H,4-6H2,1-3H3
InChIKeyVPCHUKAQDLZEAI-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylbutoxy)propan-2-one
CID 43798539
1-(2-Methylpropoxy)propan-2-one
CID 43798742
1,3-Diethoxyacetone
CID 227346
1,3-Di(propan-2-yloxy)propan-2-one
CID 12839259
1-(2,2-Dimethylpropoxy)propan-2-one
CID 12778578
1,3-Diisobutyryloxyacetone
CID 15521806
1,3-Bis(2-methylbutan-2-yloxy)propan-2-one
CID 17866068
1-Ethoxy-3-(3-ethoxy-2-oxopropoxy)propan-2-one
CID 21438198
1-Ethoxy-3-methoxypropan-2-one
CID 22967154
1-(2-Methylbutan-2-yloxy)propan-2-one
CID 23261004
3-(2-Methylpropoxy)butan-2-one
CID 43798759
1-(2-Methylpropoxy)butan-2-one
CID 53910466

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylpropoxy)propan-2-one?
The IUPAC name of 1-methoxy-3-(2-methylpropoxy)propan-2-one (CID 107507918) is 1-methoxy-3-(2-methylpropoxy)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(2-methylpropoxy)propan-2-one?
The canonical SMILES for 1-methoxy-3-(2-methylpropoxy)propan-2-one is COCC(=O)COCC(C)C.
What is the InChIKey of 1-methoxy-3-(2-methylpropoxy)propan-2-one?
The InChIKey is VPCHUKAQDLZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)4-11-6-8(9)5-10-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methylpropoxy)propan-2-one?
1-methoxy-3-(2-methylpropoxy)propan-2-one has a molecular weight of 160.21 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylpropoxy)propan-2-one is sourced from PubChem (CID 107507918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).