ethyl oxolan-2-ylmethyl carbonate

C8H14O4 — CID 11355777

IUPACethyl oxolan-2-ylmethyl carbonate
SMILESCCOC(=O)OCC1CCCO1
InChIInChI=1S/C8H14O4/c1-2-10-8(9)12-6-7-4-3-5-11-7/h7H,2-6H2,1H3
InChIKeyHXAMEATVLOHWMZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.34
Rot. Bonds3

About ethyl oxolan-2-ylmethyl carbonate

ethyl oxolan-2-ylmethyl carbonate (PubChem CID 11355777) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl oxolan-2-ylmethyl carbonate.

Molecular Properties

Compound Nameethyl oxolan-2-ylmethyl carbonate
PubChem CID11355777
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl oxolan-2-ylmethyl carbonate
SMILESCCOC(=O)OCC1CCCO1
InChIInChI=1S/C8H14O4/c1-2-10-8(9)12-6-7-4-3-5-11-7/h7H,2-6H2,1H3
InChIKeyHXAMEATVLOHWMZ-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl oxolan-2-ylmethyl carbonate?
The IUPAC name of ethyl oxolan-2-ylmethyl carbonate (CID 11355777) is ethyl oxolan-2-ylmethyl carbonate.
What is the SMILES notation for ethyl oxolan-2-ylmethyl carbonate?
The canonical SMILES for ethyl oxolan-2-ylmethyl carbonate is CCOC(=O)OCC1CCCO1.
What is the InChIKey of ethyl oxolan-2-ylmethyl carbonate?
The InChIKey is HXAMEATVLOHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-10-8(9)12-6-7-4-3-5-11-7/h7H,2-6H2,1H3.
What are the key properties of ethyl oxolan-2-ylmethyl carbonate?
ethyl oxolan-2-ylmethyl carbonate has a molecular weight of 174.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl oxolan-2-ylmethyl carbonate is sourced from PubChem (CID 11355777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).