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

C10H16O2 — CID 103558753

IUPAC1-(1-methoxycyclobutyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(OC)CCC1
InChIInChI=1S/C10H16O2/c1-3-5-9(11)8-10(12-2)6-4-7-10/h3H,1,4-8H2,2H3
InChIKeyNVULJSLAPWBDOV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds5

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

1-(1-methoxycyclobutyl)pent-4-en-2-one (PubChem CID 103558753) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)pent-4-en-2-one
PubChem CID103558753
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-methoxycyclobutyl)pent-4-en-2-one
SMILESC=CCC(=O)CC1(OC)CCC1
InChIInChI=1S/C10H16O2/c1-3-5-9(11)8-10(12-2)6-4-7-10/h3H,1,4-8H2,2H3
InChIKeyNVULJSLAPWBDOV-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-one
CID 102142956
6-Methoxy-6-methylhept-1-en-4-one
CID 103023085
2-Methoxy-2-methylnon-8-en-4-one
CID 103023269
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)-3-methylbut-3-en-2-one
CID 103558878
1-(1-Methoxycyclobutyl)-4-methylidenehexan-2-one
CID 103558879
1-(1-Methoxycyclobutyl)-5-methylhex-5-en-2-one
CID 103558952
2-Methoxy-2-methylundec-10-en-4-one
CID 107011031
1-(1-Methoxycyclobutyl)non-8-en-2-one
CID 107011099

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)pent-4-en-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)pent-4-en-2-one (CID 103558753) is 1-(1-methoxycyclobutyl)pent-4-en-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)pent-4-en-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)pent-4-en-2-one is C=CCC(=O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)pent-4-en-2-one?
The InChIKey is NVULJSLAPWBDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-9(11)8-10(12-2)6-4-7-10/h3H,1,4-8H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)pent-4-en-2-one?
1-(1-methoxycyclobutyl)pent-4-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)pent-4-en-2-one is sourced from PubChem (CID 103558753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).