3-(2-methylpropoxy)butan-2-one

C8H16O2 — CID 43798759

IUPAC3-(2-methylpropoxy)butan-2-one
SMILESCC(=O)C(C)OCC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)5-10-8(4)7(3)9/h6,8H,5H2,1-4H3
InChIKeyPQEZBKJZUVIIDI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds4

About 3-(2-methylpropoxy)butan-2-one

3-(2-methylpropoxy)butan-2-one (PubChem CID 43798759) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(2-methylpropoxy)butan-2-one.

Molecular Properties

Compound Name3-(2-methylpropoxy)butan-2-one
PubChem CID43798759
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(2-methylpropoxy)butan-2-one
SMILESCC(=O)C(C)OCC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)5-10-8(4)7(3)9/h6,8H,5H2,1-4H3
InChIKeyPQEZBKJZUVIIDI-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

3-Ethoxybutan-2-one
CID 13609260
Propanoic acid, 2-methyl-, 1-methyl-2-oxopropyl ester
CID 16205622
1-(3-Methylbutoxy)propan-2-one
CID 43798539
1-(2-Methylpropoxy)propan-2-one
CID 43798742
1,3-Di(propan-2-yloxy)propan-2-one
CID 12839259
3,3-Dimethyl-1-(2-methylpropoxy)butan-2-one
CID 43798763
[(2S)-3-oxobutan-2-yl] 2,2-dimethylpropanoate
CID 11084339
3-Methyl-3-propan-2-yloxybutan-2-one
CID 12696412
2-Ethoxy-4-methylpentan-3-one
CID 12696420
3-Methyl-1-propan-2-yloxybutan-2-one
CID 12696423
2-Methyl-4-propan-2-yloxypentan-3-one
CID 12696425
2-Methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
CID 12696426

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)butan-2-one?
The IUPAC name of 3-(2-methylpropoxy)butan-2-one (CID 43798759) is 3-(2-methylpropoxy)butan-2-one.
What is the SMILES notation for 3-(2-methylpropoxy)butan-2-one?
The canonical SMILES for 3-(2-methylpropoxy)butan-2-one is CC(=O)C(C)OCC(C)C.
What is the InChIKey of 3-(2-methylpropoxy)butan-2-one?
The InChIKey is PQEZBKJZUVIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)5-10-8(4)7(3)9/h6,8H,5H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)butan-2-one?
3-(2-methylpropoxy)butan-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 3-(2-methylpropoxy)butan-2-one is sourced from PubChem (CID 43798759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).