2-ethoxybutyl ethyl carbonate

C9H18O4 — CID 87247683

IUPAC2-ethoxybutyl ethyl carbonate
SMILESCCOC(=O)OCC(CC)OCC
InChIInChI=1S/C9H18O4/c1-4-8(11-5-2)7-13-9(10)12-6-3/h8H,4-7H2,1-3H3
InChIKeyPZNCYLKDZLGRII-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxybutyl ethyl carbonate

2-ethoxybutyl ethyl carbonate (PubChem CID 87247683) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethoxybutyl ethyl carbonate.

Molecular Properties

Compound Name2-ethoxybutyl ethyl carbonate
PubChem CID87247683
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-ethoxybutyl ethyl carbonate
SMILESCCOC(=O)OCC(CC)OCC
InChIInChI=1S/C9H18O4/c1-4-8(11-5-2)7-13-9(10)12-6-3/h8H,4-7H2,1-3H3
InChIKeyPZNCYLKDZLGRII-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
CID 175796855
CID 175796855
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate
CID 59769507
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
CID 86600930
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethyl 2-ethylhexyl carbonate
CID 54194012
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
diethyl carbonate;ethane-1,2-diol
CID 19764063

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutyl ethyl carbonate?
The IUPAC name of 2-ethoxybutyl ethyl carbonate (CID 87247683) is 2-ethoxybutyl ethyl carbonate.
What is the SMILES notation for 2-ethoxybutyl ethyl carbonate?
The canonical SMILES for 2-ethoxybutyl ethyl carbonate is CCOC(=O)OCC(CC)OCC.
What is the InChIKey of 2-ethoxybutyl ethyl carbonate?
The InChIKey is PZNCYLKDZLGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-8(11-5-2)7-13-9(10)12-6-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethoxybutyl ethyl carbonate?
2-ethoxybutyl ethyl carbonate has a molecular weight of 190.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutyl ethyl carbonate is sourced from PubChem (CID 87247683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).