1-cyclopropylethyl ethyl carbonate

C8H14O3 — CID 173016533

IUPAC1-cyclopropylethyl ethyl carbonate
SMILESCCOC(=O)OC(C)C1CC1
InChIInChI=1S/C8H14O3/c1-3-10-8(9)11-6(2)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyNBDHXFGHDSMKLW-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.96
Rot. Bonds3

About 1-cyclopropylethyl ethyl carbonate

1-cyclopropylethyl ethyl carbonate (PubChem CID 173016533) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-cyclopropylethyl ethyl carbonate.

Molecular Properties

Compound Name1-cyclopropylethyl ethyl carbonate
PubChem CID173016533
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-cyclopropylethyl ethyl carbonate
SMILESCCOC(=O)OC(C)C1CC1
InChIInChI=1S/C8H14O3/c1-3-10-8(9)11-6(2)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyNBDHXFGHDSMKLW-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
1-cyclopropylethyl (2S)-2-hydroxypropanoate
CID 131206662
[(1S)-1-cyclopropylethyl] (2R)-2-hydroxypropanoate
CID 131227735
ethyl 1-fluoroethyl carbonate
CID 11491942
ethyl 3-cyclopropylbutanoate
CID 47078610
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263
chloromethyl 1-(oxetan-3-yl)ethyl carbonate
CID 121380540
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
CID 62398594
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl ethyl carbonate?
The IUPAC name of 1-cyclopropylethyl ethyl carbonate (CID 173016533) is 1-cyclopropylethyl ethyl carbonate.
What is the SMILES notation for 1-cyclopropylethyl ethyl carbonate?
The canonical SMILES for 1-cyclopropylethyl ethyl carbonate is CCOC(=O)OC(C)C1CC1.
What is the InChIKey of 1-cyclopropylethyl ethyl carbonate?
The InChIKey is NBDHXFGHDSMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-8(9)11-6(2)7-4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropylethyl ethyl carbonate?
1-cyclopropylethyl ethyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl ethyl carbonate is sourced from PubChem (CID 173016533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).