hexylidenecyclobutane

C10H18 — CID 86127710

IUPAChexylidenecyclobutane
SMILESCCCCCC=C1CCC1
InChIInChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h7H,2-6,8-9H2,1H3
InChIKeyPPBDCJGWZTVZPU-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds4

About hexylidenecyclobutane

hexylidenecyclobutane (PubChem CID 86127710) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is hexylidenecyclobutane.

Molecular Properties

Compound Namehexylidenecyclobutane
PubChem CID86127710
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namehexylidenecyclobutane
SMILESCCCCCC=C1CCC1
InChIInChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h7H,2-6,8-9H2,1H3
InChIKeyPPBDCJGWZTVZPU-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexylidenecyclobutane?
The IUPAC name of hexylidenecyclobutane (CID 86127710) is hexylidenecyclobutane.
What is the SMILES notation for hexylidenecyclobutane?
The canonical SMILES for hexylidenecyclobutane is CCCCCC=C1CCC1.
What is the InChIKey of hexylidenecyclobutane?
The InChIKey is PPBDCJGWZTVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-4-5-7-10-8-6-9-10/h7H,2-6,8-9H2,1H3.
What are the key properties of hexylidenecyclobutane?
hexylidenecyclobutane has a molecular weight of 138.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexylidenecyclobutane is sourced from PubChem (CID 86127710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).