[(E)-3-methylbut-1-enyl]cyclobutane

C9H16 — CID 171745046

IUPAC[(E)-3-methylbut-1-enyl]cyclobutane
SMILESCC(C)/C=C/C1CCC1
InChIInChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h6-9H,3-5H2,1-2H3/b7-6+
InChIKeyTZNJYUDWMPBIKS-VOTSOKGWSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds2

About [(E)-3-methylbut-1-enyl]cyclobutane

[(E)-3-methylbut-1-enyl]cyclobutane (PubChem CID 171745046) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is [(E)-3-methylbut-1-enyl]cyclobutane.

Molecular Properties

Compound Name[(E)-3-methylbut-1-enyl]cyclobutane
PubChem CID171745046
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name[(E)-3-methylbut-1-enyl]cyclobutane
SMILESCC(C)/C=C/C1CCC1
InChIInChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h6-9H,3-5H2,1-2H3/b7-6+
InChIKeyTZNJYUDWMPBIKS-VOTSOKGWSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

3-[(E)-3-methylbut-1-enyl]oxane
CID 154695436
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
(E)-4-cyclobutyl-N-propylbut-3-en-2-amine
CID 103092744
[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
CID 10757160
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one
CID 173162094
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclobutylprop-2-en-1-ol
CID 54225571
[(E)-2-propan-2-ylselanylethenyl]cyclohexane
CID 10561487

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylbut-1-enyl]cyclobutane?
The IUPAC name of [(E)-3-methylbut-1-enyl]cyclobutane (CID 171745046) is [(E)-3-methylbut-1-enyl]cyclobutane.
What is the SMILES notation for [(E)-3-methylbut-1-enyl]cyclobutane?
The canonical SMILES for [(E)-3-methylbut-1-enyl]cyclobutane is CC(C)/C=C/C1CCC1.
What is the InChIKey of [(E)-3-methylbut-1-enyl]cyclobutane?
The InChIKey is TZNJYUDWMPBIKS-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h6-9H,3-5H2,1-2H3/b7-6+.
What are the key properties of [(E)-3-methylbut-1-enyl]cyclobutane?
[(E)-3-methylbut-1-enyl]cyclobutane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylbut-1-enyl]cyclobutane is sourced from PubChem (CID 171745046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).