ethyl 2-ethylbutyl carbonate

C9H18O3 — CID 23449322

IUPACethyl 2-ethylbutyl carbonate
SMILESCCOC(=O)OCC(CC)CC
InChIInChI=1S/C9H18O3/c1-4-8(5-2)7-12-9(10)11-6-3/h8H,4-7H2,1-3H3
InChIKeyISMBFHVENLPVOM-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-ethylbutyl carbonate

ethyl 2-ethylbutyl carbonate (PubChem CID 23449322) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 2-ethylbutyl carbonate.

Molecular Properties

Compound Nameethyl 2-ethylbutyl carbonate
PubChem CID23449322
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethyl 2-ethylbutyl carbonate
SMILESCCOC(=O)OCC(CC)CC
InChIInChI=1S/C9H18O3/c1-4-8(5-2)7-12-9(10)11-6-3/h8H,4-7H2,1-3H3
InChIKeyISMBFHVENLPVOM-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylbutyl carbonate?
The IUPAC name of ethyl 2-ethylbutyl carbonate (CID 23449322) is ethyl 2-ethylbutyl carbonate.
What is the SMILES notation for ethyl 2-ethylbutyl carbonate?
The canonical SMILES for ethyl 2-ethylbutyl carbonate is CCOC(=O)OCC(CC)CC.
What is the InChIKey of ethyl 2-ethylbutyl carbonate?
The InChIKey is ISMBFHVENLPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8(5-2)7-12-9(10)11-6-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethylbutyl carbonate?
ethyl 2-ethylbutyl carbonate has a molecular weight of 174.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylbutyl carbonate is sourced from PubChem (CID 23449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).