methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate

C11H16O5 — CID 100934695

IUPACmethyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
SMILESC=C(C[C@]1(C(=O)OC)CCCO1)C(=O)OC
InChIInChI=1S/C11H16O5/c1-8(9(12)14-2)7-11(10(13)15-3)5-4-6-16-11/h1,4-7H2,2-3H3/t11-/m0/s1
InChIKeyXGYOFCUKLCVAOY-NSHDSACASA-N
MW228.24 g/mol
LogP0.83
Rot. Bonds4

About methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate

methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate (PubChem CID 100934695) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
PubChem CID100934695
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
SMILESC=C(C[C@]1(C(=O)OC)CCCO1)C(=O)OC
InChIInChI=1S/C11H16O5/c1-8(9(12)14-2)7-11(10(13)15-3)5-4-6-16-11/h1,4-7H2,2-3H3/t11-/m0/s1
InChIKeyXGYOFCUKLCVAOY-NSHDSACASA-N
XLogP0.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700
methyl 2-methoxyoxolane-2-carboxylate
CID 86060658
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842
methyl 2-[[21-(2-methoxycarbonylprop-2-enyl)-20,22-dioxo-1,4,7,10,13,16,19-heptaoxacyclodocos-21-yl]methyl]prop-2-enoate
CID 101351844
methyl 1-(2-methylprop-2-enyl)cyclopentane-1-carboxylate
CID 123177343
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
CID 59712509
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
CID 139688530
methoxymethyl 2-ethyloxane-2-carboxylate
CID 122528556

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate?
The IUPAC name of methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate (CID 100934695) is methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate?
The canonical SMILES for methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate is C=C(C[C@]1(C(=O)OC)CCCO1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate?
The InChIKey is XGYOFCUKLCVAOY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O5/c1-8(9(12)14-2)7-11(10(13)15-3)5-4-6-16-11/h1,4-7H2,2-3H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate?
methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate is sourced from PubChem (CID 100934695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).