1-pentan-2-ylcyclobutene

C9H16 — CID 123526137

IUPAC1-pentan-2-ylcyclobutene
SMILESCCCC(C)C1=CCC1
InChIInChI=1S/C9H16/c1-3-5-8(2)9-6-4-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeySJUFUDZHDQQPCS-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds3

About 1-pentan-2-ylcyclobutene

1-pentan-2-ylcyclobutene (PubChem CID 123526137) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-pentan-2-ylcyclobutene.

Molecular Properties

Compound Name1-pentan-2-ylcyclobutene
PubChem CID123526137
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-pentan-2-ylcyclobutene
SMILESCCCC(C)C1=CCC1
InChIInChI=1S/C9H16/c1-3-5-8(2)9-6-4-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeySJUFUDZHDQQPCS-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentan-2-ylcyclopentene
CID 21242449
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
CID 142904411
N-[3-(4-pentan-2-ylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]acetamide
CID 166117433
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 145100474
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride
CID 174501530
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylcyclobutene?
The IUPAC name of 1-pentan-2-ylcyclobutene (CID 123526137) is 1-pentan-2-ylcyclobutene.
What is the SMILES notation for 1-pentan-2-ylcyclobutene?
The canonical SMILES for 1-pentan-2-ylcyclobutene is CCCC(C)C1=CCC1.
What is the InChIKey of 1-pentan-2-ylcyclobutene?
The InChIKey is SJUFUDZHDQQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-8(2)9-6-4-7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-pentan-2-ylcyclobutene?
1-pentan-2-ylcyclobutene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylcyclobutene is sourced from PubChem (CID 123526137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).