(4R)-1-but-3-enyl-4-methylcyclobutene

C9H14 — CID 140872621

IUPAC(4R)-1-but-3-enyl-4-methylcyclobutene
SMILESC=CCCC1=CC[C@H]1C
InChIInChI=1S/C9H14/c1-3-4-5-9-7-6-8(9)2/h3,7-8H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyYJRSVVKMNUXIIZ-MRVPVSSYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds3

About (4R)-1-but-3-enyl-4-methylcyclobutene

(4R)-1-but-3-enyl-4-methylcyclobutene (PubChem CID 140872621) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (4R)-1-but-3-enyl-4-methylcyclobutene.

Molecular Properties

Compound Name(4R)-1-but-3-enyl-4-methylcyclobutene
PubChem CID140872621
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(4R)-1-but-3-enyl-4-methylcyclobutene
SMILESC=CCCC1=CC[C@H]1C
InChIInChI=1S/C9H14/c1-3-4-5-9-7-6-8(9)2/h3,7-8H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyYJRSVVKMNUXIIZ-MRVPVSSYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-but-3-enyl-4-methylcyclobutene?
The IUPAC name of (4R)-1-but-3-enyl-4-methylcyclobutene (CID 140872621) is (4R)-1-but-3-enyl-4-methylcyclobutene.
What is the SMILES notation for (4R)-1-but-3-enyl-4-methylcyclobutene?
The canonical SMILES for (4R)-1-but-3-enyl-4-methylcyclobutene is C=CCCC1=CC[C@H]1C.
What is the InChIKey of (4R)-1-but-3-enyl-4-methylcyclobutene?
The InChIKey is YJRSVVKMNUXIIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14/c1-3-4-5-9-7-6-8(9)2/h3,7-8H,1,4-6H2,2H3/t8-/m1/s1.
What are the key properties of (4R)-1-but-3-enyl-4-methylcyclobutene?
(4R)-1-but-3-enyl-4-methylcyclobutene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-but-3-enyl-4-methylcyclobutene is sourced from PubChem (CID 140872621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).