methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate

C8H12O3 — CID 131844999

IUPACmethyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@H]1C=CCCO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2,4,7H,3,5-6H2,1H3/t7-/m1/s1
InChIKeyJPMRPWWPUHXLRT-SSDOTTSWSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate

methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 131844999) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID131844999
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@H]1C=CCCO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2,4,7H,3,5-6H2,1H3/t7-/m1/s1
InChIKeyJPMRPWWPUHXLRT-SSDOTTSWSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
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-(1,3-dioxan-2-yl)acetate
CID 59252297
2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
CID 143974337
methyl 2-[(3R,6S)-6-(2-oxopropyl)-3,6-dihydro-2H-pyran-3-yl]acetate
CID 11009241
methyl 2-[(2R)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
CID 96999144
methyl 2-[(3S)-3-(2-methoxy-2-oxoethyl)-1,4,8,11-tetraoxacyclotetradec-2-yl]acetate
CID 177423935
methyl 2-(5-methoxy-5-octadeca-14,16-dienyl-2,6-dihydropyran-2-yl)acetate
CID 162957965
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methyl 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-(propanoylamino)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 54639361
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate (CID 131844999) is methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate is COC(=O)C[C@H]1C=CCCO1.
What is the InChIKey of methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is JPMRPWWPUHXLRT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2,4,7H,3,5-6H2,1H3/t7-/m1/s1.
What are the key properties of methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate?
methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 131844999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).