1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one

C11H18O2 — CID 103558876

IUPAC1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one
SMILESC=C(C)CC(=O)CC1(OC)CCC1
InChIInChI=1S/C11H18O2/c1-9(2)7-10(12)8-11(13-3)5-4-6-11/h1,4-8H2,2-3H3
InChIKeyRSTKCAYLIWILGD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one

1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one (PubChem CID 103558876) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one
PubChem CID103558876
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one
SMILESC=C(C)CC(=O)CC1(OC)CCC1
InChIInChI=1S/C11H18O2/c1-9(2)7-10(12)8-11(13-3)5-4-6-11/h1,4-8H2,2-3H3
InChIKeyRSTKCAYLIWILGD-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-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

1-(2,5-Diethyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314076
6-Methoxy-2,6-dimethylhept-1-en-4-one
CID 103023336
2-Methoxy-2-methyl-6-methylideneoctan-4-one
CID 103023338
2-Methoxy-2,7-dimethyloct-7-en-4-one
CID 103023523
1-(1-Methoxycyclobutyl)pent-4-en-2-one
CID 103558753
1-(1-Methoxycyclobutyl)hept-6-en-2-one
CID 103558837
1-(1-Methoxycyclobutyl)hex-5-en-2-one
CID 103558838
1-(1-Methoxycyclobutyl)-3-methylbut-3-en-2-one
CID 103558878
1-(1-Methoxycyclobutyl)-4-methylidenehexan-2-one
CID 103558879
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558938
1-(1-Methoxycyclobutyl)-5-methylhex-5-en-2-one
CID 103558952
2-Methoxy-2-methylundec-10-en-4-one
CID 107011031

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one (CID 103558876) is 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one is C=C(C)CC(=O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one?
The InChIKey is RSTKCAYLIWILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)7-10(12)8-11(13-3)5-4-6-11/h1,4-8H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one?
1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-one is sourced from PubChem (CID 103558876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).