ethyl (3R)-2-methylideneoxolane-3-carboxylate

C8H12O3 — CID 135007012

IUPACethyl (3R)-2-methylideneoxolane-3-carboxylate
SMILESC=C1OCC[C@H]1C(=O)OCC
InChIInChI=1S/C8H12O3/c1-3-10-8(9)7-4-5-11-6(7)2/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyCCYNMUGGXDFTAE-SSDOTTSWSA-N
MW156.18 g/mol
LogP1.10
Rot. Bonds2

About ethyl (3R)-2-methylideneoxolane-3-carboxylate

ethyl (3R)-2-methylideneoxolane-3-carboxylate (PubChem CID 135007012) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl (3R)-2-methylideneoxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-2-methylideneoxolane-3-carboxylate
PubChem CID135007012
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl (3R)-2-methylideneoxolane-3-carboxylate
SMILESC=C1OCC[C@H]1C(=O)OCC
InChIInChI=1S/C8H12O3/c1-3-10-8(9)7-4-5-11-6(7)2/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyCCYNMUGGXDFTAE-SSDOTTSWSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2-methylideneoxolane-3-carboxylate?
The IUPAC name of ethyl (3R)-2-methylideneoxolane-3-carboxylate (CID 135007012) is ethyl (3R)-2-methylideneoxolane-3-carboxylate.
What is the SMILES notation for ethyl (3R)-2-methylideneoxolane-3-carboxylate?
The canonical SMILES for ethyl (3R)-2-methylideneoxolane-3-carboxylate is C=C1OCC[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (3R)-2-methylideneoxolane-3-carboxylate?
The InChIKey is CCYNMUGGXDFTAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-10-8(9)7-4-5-11-6(7)2/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-2-methylideneoxolane-3-carboxylate?
ethyl (3R)-2-methylideneoxolane-3-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2-methylideneoxolane-3-carboxylate is sourced from PubChem (CID 135007012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).