1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one

C10H16O2 — CID 103558878

IUPAC1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C10H16O2/c1-8(2)9(11)7-10(12-3)5-4-6-10/h1,4-7H2,2-3H3
InChIKeyVSKLTIMVASHQHH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one

1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one (PubChem CID 103558878) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one
PubChem CID103558878
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C10H16O2/c1-8(2)9(11)7-10(12-3)5-4-6-10/h1,4-7H2,2-3H3
InChIKeyVSKLTIMVASHQHH-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(1-methoxycyclobutyl)-3-methylbut-3-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

5-Methoxy-2,5-dimethylhex-1-en-3-one
CID 103023337
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)but-3-en-2-one
CID 103558868
1-(1-Methoxycyclobutyl)-4-methylpent-4-en-2-one
CID 103558876
1-(1-Methoxycyclobutyl)-4-methylpent-3-en-2-one
CID 103558877
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one (CID 103558878) is 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one is C=C(C)C(=O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one?
The InChIKey is VSKLTIMVASHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)9(11)7-10(12-3)5-4-6-10/h1,4-7H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one?
1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-one is sourced from PubChem (CID 103558878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).