1-methylidene-3-propylcyclobutane

C8H14 — CID 14434471

IUPAC1-methylidene-3-propylcyclobutane
SMILESC=C1CC(CCC)C1
InChIInChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h8H,2-6H2,1H3
InChIKeyGJFBAZVVLOIOHB-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds2

About 1-methylidene-3-propylcyclobutane

1-methylidene-3-propylcyclobutane (PubChem CID 14434471) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-methylidene-3-propylcyclobutane.

Molecular Properties

Compound Name1-methylidene-3-propylcyclobutane
PubChem CID14434471
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-methylidene-3-propylcyclobutane
SMILESC=C1CC(CCC)C1
InChIInChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h8H,2-6H2,1H3
InChIKeyGJFBAZVVLOIOHB-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
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 1-methylidene-3-propylcyclobutane?
The IUPAC name of 1-methylidene-3-propylcyclobutane (CID 14434471) is 1-methylidene-3-propylcyclobutane.
What is the SMILES notation for 1-methylidene-3-propylcyclobutane?
The canonical SMILES for 1-methylidene-3-propylcyclobutane is C=C1CC(CCC)C1.
What is the InChIKey of 1-methylidene-3-propylcyclobutane?
The InChIKey is GJFBAZVVLOIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h8H,2-6H2,1H3.
What are the key properties of 1-methylidene-3-propylcyclobutane?
1-methylidene-3-propylcyclobutane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-propylcyclobutane is sourced from PubChem (CID 14434471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).