methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate

C10H16O3 — CID 14523284

IUPACmethyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)C[C@H](C)O[C@@H]1C
InChIInChI=1S/C10H16O3/c1-6-5-7(2)13-8(3)9(6)10(11)12-4/h7-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyUDUKUCPQKUKXLE-JGVFFNPUSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds1

About methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate

methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate (PubChem CID 14523284) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate
PubChem CID14523284
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=C(C)C[C@H](C)O[C@@H]1C
InChIInChI=1S/C10H16O3/c1-6-5-7(2)13-8(3)9(6)10(11)12-4/h7-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyUDUKUCPQKUKXLE-JGVFFNPUSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Bis((acetyloxy)methyl)-5,6-dimethyl-2,5-cyclohexadiene-1,4-dione
CID 148214
4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone
CID 164446
2-(1-Methyl-2-oxo-butylidene)-malonic acid diethyl ester
CID 138115489
Methyl 4,6-dimethyl-5,6-dihydro-2-oxo(2H)pyran-5-carboxylate
CID 574573
Ethyl 2-cyclohexylidene-3-oxobutanoate
CID 12642338
(2,5-Dimethyl-6-oxo-2,3-dihydropyran-4-yl) acetate
CID 14340366
Methyl 2-methyl-6-oxo-5,6-dihydro-2H-pyran-3-carboxylate
CID 14878940
methyl (2R)-2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate
CID 14878941
Ethyl 2-methyl-5,6-dihydro-2H-pyran-3-carboxylate
CID 15591695
2,4,5-Trimethyl-2,3-dihydropyran-6-one
CID 18538217
5-Tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one
CID 20761809
5-Tert-butyl-4-methoxy-2-methyl-2,3-dihydropyran-6-one
CID 20761816

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate (CID 14523284) is methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate is COC(=O)C1=C(C)C[C@H](C)O[C@@H]1C.
What is the InChIKey of methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate?
The InChIKey is UDUKUCPQKUKXLE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-7(2)13-8(3)9(6)10(11)12-4/h7-8H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate?
methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-2,4,6-trimethyl-3,6-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 14523284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).