butoxycyclobutane

C8H16O — CID 54057236

IUPACbutoxycyclobutane
SMILESCCCCOC1CCC1
InChIInChI=1S/C8H16O/c1-2-3-7-9-8-5-4-6-8/h8H,2-7H2,1H3
InChIKeySNBMDZMOAXIKET-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds4

About butoxycyclobutane

butoxycyclobutane (PubChem CID 54057236) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is butoxycyclobutane.

Molecular Properties

Compound Namebutoxycyclobutane
PubChem CID54057236
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namebutoxycyclobutane
SMILESCCCCOC1CCC1
InChIInChI=1S/C8H16O/c1-2-3-7-9-8-5-4-6-8/h8H,2-7H2,1H3
InChIKeySNBMDZMOAXIKET-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxycyclobutane?
The IUPAC name of butoxycyclobutane (CID 54057236) is butoxycyclobutane.
What is the SMILES notation for butoxycyclobutane?
The canonical SMILES for butoxycyclobutane is CCCCOC1CCC1.
What is the InChIKey of butoxycyclobutane?
The InChIKey is SNBMDZMOAXIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-7-9-8-5-4-6-8/h8H,2-7H2,1H3.
What are the key properties of butoxycyclobutane?
butoxycyclobutane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycyclobutane is sourced from PubChem (CID 54057236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).