methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate

C12H18O3 — CID 101342640

IUPACmethyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCC/C=C(\C)[C@@H]1CC=C[C@H](C(=O)OC)O1
InChIInChI=1S/C12H18O3/c1-4-6-9(2)10-7-5-8-11(15-10)12(13)14-3/h5-6,8,10-11H,4,7H2,1-3H3/b9-6+/t10-,11+/m0/s1
InChIKeyLEKPWZPQQDUFLZ-MXJKNTAJSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds3

About methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate

methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate (PubChem CID 101342640) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
PubChem CID101342640
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCC/C=C(\C)[C@@H]1CC=C[C@H](C(=O)OC)O1
InChIInChI=1S/C12H18O3/c1-4-6-9(2)10-7-5-8-11(15-10)12(13)14-3/h5-6,8,10-11H,4,7H2,1-3H3/b9-6+/t10-,11+/m0/s1
InChIKeyLEKPWZPQQDUFLZ-MXJKNTAJSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,5-dihydrofuran-2-carboxylate
CID 12634722
(2R)-2-[(Z)-hept-1-enyl]-2,5-dihydropyran-6-one
CID 76309897
[(3R,6R)-6-butyl-4-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11974281
[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 134854496
Dihydroeugenol acetate
CID 129704661
ethyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 11953641
methyl 3,6-dihydro-2H-pyran-2-carboxylate
CID 13756578
2-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 1-O-methyl oxalate
CID 59266748
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355
methyl (2R,6R)-2-tert-butyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10631818
methyl (2S,6R)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10820815
ethyl (2R)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10877795

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate (CID 101342640) is methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate is CC/C=C(\C)[C@@H]1CC=C[C@H](C(=O)OC)O1.
What is the InChIKey of methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate?
The InChIKey is LEKPWZPQQDUFLZ-MXJKNTAJSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-6-9(2)10-7-5-8-11(15-10)12(13)14-3/h5-6,8,10-11H,4,7H2,1-3H3/b9-6+/t10-,11+/m0/s1.
What are the key properties of methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate?
methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 101342640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).