ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate

C11H18O3 — CID 101136335

IUPACethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1OCCC1=C(C)C
InChIInChI=1S/C11H18O3/c1-4-13-11(12)7-10-9(8(2)3)5-6-14-10/h10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyVFHLKTHLHLHIOH-SNVBAGLBSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds3

About ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate

ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate (PubChem CID 101136335) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate
PubChem CID101136335
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1OCCC1=C(C)C
InChIInChI=1S/C11H18O3/c1-4-13-11(12)7-10-9(8(2)3)5-6-14-10/h10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyVFHLKTHLHLHIOH-SNVBAGLBSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate (CID 101136335) is ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate is CCOC(=O)C[C@H]1OCCC1=C(C)C.
What is the InChIKey of ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate?
The InChIKey is VFHLKTHLHLHIOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-13-11(12)7-10-9(8(2)3)5-6-14-10/h10H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate?
ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate is sourced from PubChem (CID 101136335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).