1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one

C11H20O2 — CID 58375737

IUPAC1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CC1CCC1
InChIInChI=1S/C11H20O2/c1-11(2,3)13-8-10(12)7-9-5-4-6-9/h9H,4-8H2,1-3H3
InChIKeySGZAFVZZUJHPDS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one

1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 58375737) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID58375737
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CC1CCC1
InChIInChI=1S/C11H20O2/c1-11(2,3)13-8-10(12)7-9-5-4-6-9/h9H,4-8H2,1-3H3
InChIKeySGZAFVZZUJHPDS-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 58375737) is 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(C)(C)OCC(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is SGZAFVZZUJHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)13-8-10(12)7-9-5-4-6-9/h9H,4-8H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 58375737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).