butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate

C9H14N2O4 — CID 174348455

IUPACbutyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate
SMILESCCCCOC(=O)OCCc1ncon1
InChIInChI=1S/C9H14N2O4/c1-2-3-5-13-9(12)14-6-4-8-10-7-15-11-8/h7H,2-6H2,1H3
InChIKeySNKTWSGHIUQXSL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.57
Rot. Bonds6

About butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate

butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate (PubChem CID 174348455) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate.

Molecular Properties

Compound Namebutyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate
PubChem CID174348455
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namebutyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate
SMILESCCCCOC(=O)OCCc1ncon1
InChIInChI=1S/C9H14N2O4/c1-2-3-5-13-9(12)14-6-4-8-10-7-15-11-8/h7H,2-6H2,1H3
InChIKeySNKTWSGHIUQXSL-UHFFFAOYSA-N
XLogP1.57
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-trimethylsilyloxyethyl carbonate
CID 155712714
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
3-butoxypropyl butyl carbonate
CID 87247588
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395

Frequently Asked Questions

What is the IUPAC name of butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate?
The IUPAC name of butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate (CID 174348455) is butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate.
What is the SMILES notation for butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate?
The canonical SMILES for butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate is CCCCOC(=O)OCCc1ncon1.
What is the InChIKey of butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate?
The InChIKey is SNKTWSGHIUQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-3-5-13-9(12)14-6-4-8-10-7-15-11-8/h7H,2-6H2,1H3.
What are the key properties of butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate?
butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate has a molecular weight of 214.22 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(1,2,4-oxadiazol-3-yl)ethyl carbonate is sourced from PubChem (CID 174348455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).