methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate

C11H18O4 — CID 134981738

IUPACmethyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H]1CC[C@H](CC(C)O)O1
InChIInChI=1S/C11H18O4/c1-7(12)6-9-4-5-10(15-9)8(2)11(13)14-3/h7,9-10,12H,2,4-6H2,1,3H3/t7?,9-,10+/m1/s1
InChIKeyUJWZVGYURXPAIQ-MKSVKPQVSA-N
MW214.26 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate

methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate (PubChem CID 134981738) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
PubChem CID134981738
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H]1CC[C@H](CC(C)O)O1
InChIInChI=1S/C11H18O4/c1-7(12)6-9-4-5-10(15-9)8(2)11(13)14-3/h7,9-10,12H,2,4-6H2,1,3H3/t7?,9-,10+/m1/s1
InChIKeyUJWZVGYURXPAIQ-MKSVKPQVSA-N
XLogP1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
CID 4248455
(2R,3S)-C75
CID 9881506
4-Methylene-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid
CID 363541
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
CID 6482234
Methylenolactocin
CID 133968
4-(1-hydroxyhexyl)-2H-furan-5-one
CID 14226622
Ethyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 11241315
(2R,3S)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
CID 163186944
Acaterin
CID 126830
Murolic acid
CID 194349
Protoconstipatic acid
CID 194489
(2R,3S)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 10954857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The IUPAC name of methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate (CID 134981738) is methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate is C=C(C(=O)OC)[C@@H]1CC[C@H](CC(C)O)O1.
What is the InChIKey of methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The InChIKey is UJWZVGYURXPAIQ-MKSVKPQVSA-N. The full InChI is InChI=1S/C11H18O4/c1-7(12)6-9-4-5-10(15-9)8(2)11(13)14-3/h7,9-10,12H,2,4-6H2,1,3H3/t7?,9-,10+/m1/s1.
What are the key properties of methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 134981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).