cyclopentylmethyl ethyl carbonate

C9H16O3 — CID 54161317

IUPACcyclopentylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCCC1
InChIInChI=1S/C9H16O3/c1-2-11-9(10)12-7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyZUIMPJPRFBWGFW-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.35
Rot. Bonds3

About cyclopentylmethyl ethyl carbonate

cyclopentylmethyl ethyl carbonate (PubChem CID 54161317) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is cyclopentylmethyl ethyl carbonate.

Molecular Properties

Compound Namecyclopentylmethyl ethyl carbonate
PubChem CID54161317
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namecyclopentylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCCC1
InChIInChI=1S/C9H16O3/c1-2-11-9(10)12-7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyZUIMPJPRFBWGFW-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl ethyl carbonate?
The IUPAC name of cyclopentylmethyl ethyl carbonate (CID 54161317) is cyclopentylmethyl ethyl carbonate.
What is the SMILES notation for cyclopentylmethyl ethyl carbonate?
The canonical SMILES for cyclopentylmethyl ethyl carbonate is CCOC(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl ethyl carbonate?
The InChIKey is ZUIMPJPRFBWGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-11-9(10)12-7-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of cyclopentylmethyl ethyl carbonate?
cyclopentylmethyl ethyl carbonate has a molecular weight of 172.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl ethyl carbonate is sourced from PubChem (CID 54161317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).