ethyl 1-propan-2-yloxyethyl carbonate

C8H16O4 — CID 118149585

IUPACethyl 1-propan-2-yloxyethyl carbonate
SMILESCCOC(=O)OC(C)OC(C)C
InChIInChI=1S/C8H16O4/c1-5-10-8(9)12-7(4)11-6(2)3/h6-7H,5H2,1-4H3
InChIKeyGNSGFTKVUGRTAS-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.93
Rot. Bonds4

About ethyl 1-propan-2-yloxyethyl carbonate

ethyl 1-propan-2-yloxyethyl carbonate (PubChem CID 118149585) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethyl 1-propan-2-yloxyethyl carbonate.

Molecular Properties

Compound Nameethyl 1-propan-2-yloxyethyl carbonate
PubChem CID118149585
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethyl 1-propan-2-yloxyethyl carbonate
SMILESCCOC(=O)OC(C)OC(C)C
InChIInChI=1S/C8H16O4/c1-5-10-8(9)12-7(4)11-6(2)3/h6-7H,5H2,1-4H3
InChIKeyGNSGFTKVUGRTAS-UHFFFAOYSA-N
XLogP1.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
CID 89402327
bis(1-ethoxycarbonyloxyethyl) hexanedioate
CID 87582906
ethyl 1-fluoroethyl carbonate
CID 11491942
1-cyclopropylethyl ethyl carbonate
CID 173016533
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
4-O-(1-ethoxycarbonyloxyethyl) 1-O-methyl but-2-enedioate
CID 72529787
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
ethyl 1-thiocyanatoethyl carbonate
CID 14026954
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 1-phenoxyethyl carbonate
CID 173360681
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
but-3-en-2-yl ethyl carbonate
CID 11137281

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yloxyethyl carbonate?
The IUPAC name of ethyl 1-propan-2-yloxyethyl carbonate (CID 118149585) is ethyl 1-propan-2-yloxyethyl carbonate.
What is the SMILES notation for ethyl 1-propan-2-yloxyethyl carbonate?
The canonical SMILES for ethyl 1-propan-2-yloxyethyl carbonate is CCOC(=O)OC(C)OC(C)C.
What is the InChIKey of ethyl 1-propan-2-yloxyethyl carbonate?
The InChIKey is GNSGFTKVUGRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-10-8(9)12-7(4)11-6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 1-propan-2-yloxyethyl carbonate?
ethyl 1-propan-2-yloxyethyl carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yloxyethyl carbonate is sourced from PubChem (CID 118149585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).