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

C11H18O4 — CID 134902043

IUPACmethyl 2-[(2S,5S)-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-/m0/s1
InChIKeyUJWZVGYURXPAIQ-IVNRZZHDSA-N
MW214.26 g/mol
LogP1.03
Rot. Bonds4

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

methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate (PubChem CID 134902043) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
PubChem CID134902043
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(2S,5S)-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-/m0/s1
InChIKeyUJWZVGYURXPAIQ-IVNRZZHDSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The IUPAC name of methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate (CID 134902043) is methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2S,5S)-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,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
The InChIKey is UJWZVGYURXPAIQ-IVNRZZHDSA-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-/m0/s1.
What are the key properties of methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate?
methyl 2-[(2S,5S)-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,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 134902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).