cyclobutyloxycarbonyloxymethyl acetate

C8H12O5 — CID 70141824

IUPACcyclobutyloxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OC1CCC1
InChIInChI=1S/C8H12O5/c1-6(9)11-5-12-8(10)13-7-3-2-4-7/h7H,2-5H2,1H3
InChIKeyIKBUBECLPKQIJH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.21
Rot. Bonds3

About cyclobutyloxycarbonyloxymethyl acetate

cyclobutyloxycarbonyloxymethyl acetate (PubChem CID 70141824) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is cyclobutyloxycarbonyloxymethyl acetate.

Molecular Properties

Compound Namecyclobutyloxycarbonyloxymethyl acetate
PubChem CID70141824
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namecyclobutyloxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OC1CCC1
InChIInChI=1S/C8H12O5/c1-6(9)11-5-12-8(10)13-7-3-2-4-7/h7H,2-5H2,1H3
InChIKeyIKBUBECLPKQIJH-UHFFFAOYSA-N
XLogP1.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl hydroxymethyl carbonate
CID 54112347
(4-methylcyclohexyl)oxycarbonyloxymethyl 2-methylprop-2-enoate
CID 59157329
(6-acetyloxycyclodecyl) acetate
CID 539578
acetyloxymethyl acetate;azane
CID 172795061
cycloheptyl iodomethyl carbonate
CID 86119288
cycloheptadecyl acetate
CID 57215828
dicyclononyl carbonate
CID 139618210
acetic acid;acetyloxymethyl acetate
CID 175421869
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718

Frequently Asked Questions

What is the IUPAC name of cyclobutyloxycarbonyloxymethyl acetate?
The IUPAC name of cyclobutyloxycarbonyloxymethyl acetate (CID 70141824) is cyclobutyloxycarbonyloxymethyl acetate.
What is the SMILES notation for cyclobutyloxycarbonyloxymethyl acetate?
The canonical SMILES for cyclobutyloxycarbonyloxymethyl acetate is CC(=O)OCOC(=O)OC1CCC1.
What is the InChIKey of cyclobutyloxycarbonyloxymethyl acetate?
The InChIKey is IKBUBECLPKQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-6(9)11-5-12-8(10)13-7-3-2-4-7/h7H,2-5H2,1H3.
What are the key properties of cyclobutyloxycarbonyloxymethyl acetate?
cyclobutyloxycarbonyloxymethyl acetate has a molecular weight of 188.18 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxycarbonyloxymethyl acetate is sourced from PubChem (CID 70141824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).