ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate

C9H14O3 — CID 102285322

IUPACethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1CCCO1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h5-6,8H,2-4,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyUGQWPVRTGJFOPR-HQZHTGGTSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate

ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate (PubChem CID 102285322) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
PubChem CID102285322
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1CCCO1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h5-6,8H,2-4,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyUGQWPVRTGJFOPR-HQZHTGGTSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate
CID 102285324
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
ethyl (E)-3-[(2S)-2-hydroxycyclopentyl]prop-2-enoate
CID 132522889
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
ethyl (E)-3-[(1S,2S)-2-methylcyclopropyl]prop-2-enoate
CID 101160794
ethyl (E)-3-(3-methyloxiran-2-yl)prop-2-enoate
CID 6156658
ethyl (E)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]prop-2-enoate
CID 12020426
ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
CID 168932647

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate (CID 102285322) is ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate is CCOC(=O)/C=C/[C@H]1CCCO1.
What is the InChIKey of ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate?
The InChIKey is UGQWPVRTGJFOPR-HQZHTGGTSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h5-6,8H,2-4,7H2,1H3/b6-5+/t8-/m1/s1.
What are the key properties of ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate?
ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 102285322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).