2-butan-2-yloxycyclopent-2-en-1-one

C9H14O2 — CID 15183189

IUPAC2-butan-2-yloxycyclopent-2-en-1-one
SMILESCCC(C)OC1=CCCC1=O
InChIInChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h6-7H,3-5H2,1-2H3
InChIKeyHELXNBNXFLRXII-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About 2-butan-2-yloxycyclopent-2-en-1-one

2-butan-2-yloxycyclopent-2-en-1-one (PubChem CID 15183189) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-butan-2-yloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-butan-2-yloxycyclopent-2-en-1-one
PubChem CID15183189
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-butan-2-yloxycyclopent-2-en-1-one
SMILESCCC(C)OC1=CCCC1=O
InChIInChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h6-7H,3-5H2,1-2H3
InChIKeyHELXNBNXFLRXII-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yloxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxycyclohex-2-en-1-one
CID 121598
2-Methoxy-2-cyclopentene-1-one
CID 11768535
Acetoxycyclopentenon
CID 12369514
2-(2-Methylpropoxy)cyclopent-2-en-1-one
CID 12858359
2-Ethyl-4-methoxy-5-methylfuran-3(2H)-one
CID 3020659
2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
2-Propoxycyclohex-2-en-1-one
CID 13678104
1-(3,4-Dihydro-2H-pyran-6-yl)-2-methylidenebutan-1-one
CID 71377804
2,3-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 90719873
2,5-Diacetyldihydrofuran
CID 129882534
5-Ethyl-2-methyl-4-oxouran-3-olate
CID 25202827
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one
CID 102651042

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxycyclopent-2-en-1-one?
The IUPAC name of 2-butan-2-yloxycyclopent-2-en-1-one (CID 15183189) is 2-butan-2-yloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-butan-2-yloxycyclopent-2-en-1-one?
The canonical SMILES for 2-butan-2-yloxycyclopent-2-en-1-one is CCC(C)OC1=CCCC1=O.
What is the InChIKey of 2-butan-2-yloxycyclopent-2-en-1-one?
The InChIKey is HELXNBNXFLRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butan-2-yloxycyclopent-2-en-1-one?
2-butan-2-yloxycyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxycyclopent-2-en-1-one is sourced from PubChem (CID 15183189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).