1-ethylidene-2,3-dimethylcyclobutane

C8H14 — CID 91257905

IUPAC1-ethylidene-2,3-dimethylcyclobutane
SMILESCC=C1CC(C)C1C
InChIInChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h4,6-7H,5H2,1-3H3
InChIKeyHTABXWAGAMSQNN-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds

About 1-ethylidene-2,3-dimethylcyclobutane

1-ethylidene-2,3-dimethylcyclobutane (PubChem CID 91257905) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-ethylidene-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-ethylidene-2,3-dimethylcyclobutane
PubChem CID91257905
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-ethylidene-2,3-dimethylcyclobutane
SMILESCC=C1CC(C)C1C
InChIInChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h4,6-7H,5H2,1-3H3
InChIKeyHTABXWAGAMSQNN-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
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 1-ethylidene-2,3-dimethylcyclobutane?
The IUPAC name of 1-ethylidene-2,3-dimethylcyclobutane (CID 91257905) is 1-ethylidene-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-ethylidene-2,3-dimethylcyclobutane?
The canonical SMILES for 1-ethylidene-2,3-dimethylcyclobutane is CC=C1CC(C)C1C.
What is the InChIKey of 1-ethylidene-2,3-dimethylcyclobutane?
The InChIKey is HTABXWAGAMSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-ethylidene-2,3-dimethylcyclobutane?
1-ethylidene-2,3-dimethylcyclobutane has a molecular weight of 110.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-2,3-dimethylcyclobutane is sourced from PubChem (CID 91257905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).