ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate

C12H20O4 — CID 135057283

IUPACethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
SMILESC=C[C@]1(C)COC(O)(CC)C1C(=O)OCC
InChIInChI=1S/C12H20O4/c1-5-11(4)8-16-12(14,6-2)9(11)10(13)15-7-3/h5,9,14H,1,6-8H2,2-4H3/t9?,11-,12?/m1/s1
InChIKeyBSIDUFIVLGSRCI-CKBZRRDASA-N
MW228.29 g/mol
LogP1.49
Rot. Bonds4

About ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate

ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate (PubChem CID 135057283) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
PubChem CID135057283
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
SMILESC=C[C@]1(C)COC(O)(CC)C1C(=O)OCC
InChIInChI=1S/C12H20O4/c1-5-11(4)8-16-12(14,6-2)9(11)10(13)15-7-3/h5,9,14H,1,6-8H2,2-4H3/t9?,11-,12?/m1/s1
InChIKeyBSIDUFIVLGSRCI-CKBZRRDASA-N
XLogP1.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate
CID 135054570
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ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
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ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 3-hydroxy-3-methylpyrrolidine-2-carboxylate
CID 10877618
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
CID 10631903
ethyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
CID 66867779

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate?
The IUPAC name of ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate (CID 135057283) is ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate is C=C[C@]1(C)COC(O)(CC)C1C(=O)OCC.
What is the InChIKey of ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate?
The InChIKey is BSIDUFIVLGSRCI-CKBZRRDASA-N. The full InChI is InChI=1S/C12H20O4/c1-5-11(4)8-16-12(14,6-2)9(11)10(13)15-7-3/h5,9,14H,1,6-8H2,2-4H3/t9?,11-,12?/m1/s1.
What are the key properties of ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate?
ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate is sourced from PubChem (CID 135057283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).