ethane;1-methylcyclobutene

C7H14 — CID 91484029

IUPACethane;1-methylcyclobutene
SMILESCC.CC1=CCC1
InChIInChI=1S/C5H8.C2H6/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1-2H3
InChIKeyJOJMFAVWPGNCDY-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds

About ethane;1-methylcyclobutene

ethane;1-methylcyclobutene (PubChem CID 91484029) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is ethane;1-methylcyclobutene.

Molecular Properties

Compound Nameethane;1-methylcyclobutene
PubChem CID91484029
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Nameethane;1-methylcyclobutene
SMILESCC.CC1=CCC1
InChIInChI=1S/C5H8.C2H6/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1-2H3
InChIKeyJOJMFAVWPGNCDY-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
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 ethane;1-methylcyclobutene?
The IUPAC name of ethane;1-methylcyclobutene (CID 91484029) is ethane;1-methylcyclobutene.
What is the SMILES notation for ethane;1-methylcyclobutene?
The canonical SMILES for ethane;1-methylcyclobutene is CC.CC1=CCC1.
What is the InChIKey of ethane;1-methylcyclobutene?
The InChIKey is JOJMFAVWPGNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C2H6/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;1-methylcyclobutene?
ethane;1-methylcyclobutene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylcyclobutene is sourced from PubChem (CID 91484029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).