3-methyl-1-propan-2-yloxybutan-2-one

C8H16O2 — CID 12696423

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

About 3-methyl-1-propan-2-yloxybutan-2-one

3-methyl-1-propan-2-yloxybutan-2-one (PubChem CID 12696423) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxybutan-2-one.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxybutan-2-one
PubChem CID12696423
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methyl-1-propan-2-yloxybutan-2-one
SMILESCC(C)OCC(=O)C(C)C
InChIInChI=1S/C8H16O2/c1-6(2)8(9)5-10-7(3)4/h6-7H,5H2,1-4H3
InChIKeyRZVFJMXSUGQGDD-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxybutan-2-one?
The IUPAC name of 3-methyl-1-propan-2-yloxybutan-2-one (CID 12696423) is 3-methyl-1-propan-2-yloxybutan-2-one.
What is the SMILES notation for 3-methyl-1-propan-2-yloxybutan-2-one?
The canonical SMILES for 3-methyl-1-propan-2-yloxybutan-2-one is CC(C)OCC(=O)C(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yloxybutan-2-one?
The InChIKey is RZVFJMXSUGQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)8(9)5-10-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yloxybutan-2-one?
3-methyl-1-propan-2-yloxybutan-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-methyl-1-propan-2-yloxybutan-2-one is sourced from PubChem (CID 12696423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).