4-butyl-3,3-dimethyldioxetane

C8H16O2 — CID 140567798

IUPAC4-butyl-3,3-dimethyldioxetane
SMILESCCCCC1OOC1(C)C
InChIInChI=1S/C8H16O2/c1-4-5-6-7-8(2,3)10-9-7/h7H,4-6H2,1-3H3
InChIKeyDYWBYEPHQPGFQH-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.29
Rot. Bonds3

About 4-butyl-3,3-dimethyldioxetane

4-butyl-3,3-dimethyldioxetane (PubChem CID 140567798) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-butyl-3,3-dimethyldioxetane.

Molecular Properties

Compound Name4-butyl-3,3-dimethyldioxetane
PubChem CID140567798
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-butyl-3,3-dimethyldioxetane
SMILESCCCCC1OOC1(C)C
InChIInChI=1S/C8H16O2/c1-4-5-6-7-8(2,3)10-9-7/h7H,4-6H2,1-3H3
InChIKeyDYWBYEPHQPGFQH-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 88425405
CID 88425405
CID 287012
CID 287012
CID 18626699
CID 18626699
CID 21547786
CID 21547786
CID 21572378
CID 21572378
CID 54106008
CID 54106008
CID 54543848
CID 54543848
CID 87093879
CID 87093879
CID 88421118
CID 88421118
CID 88635711
CID 88635711
CID 88843524
CID 88843524
CID 90108638
CID 90108638

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,3-dimethyldioxetane?
The IUPAC name of 4-butyl-3,3-dimethyldioxetane (CID 140567798) is 4-butyl-3,3-dimethyldioxetane.
What is the SMILES notation for 4-butyl-3,3-dimethyldioxetane?
The canonical SMILES for 4-butyl-3,3-dimethyldioxetane is CCCCC1OOC1(C)C.
What is the InChIKey of 4-butyl-3,3-dimethyldioxetane?
The InChIKey is DYWBYEPHQPGFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-7-8(2,3)10-9-7/h7H,4-6H2,1-3H3.
What are the key properties of 4-butyl-3,3-dimethyldioxetane?
4-butyl-3,3-dimethyldioxetane has a molecular weight of 144.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,3-dimethyldioxetane is sourced from PubChem (CID 140567798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).