methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate

C11H16O5 — CID 162787597

IUPACmethyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate
SMILESCOC(=O)C1COC(=O)C2C(C)C(O)CC12
InChIInChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h5-9,12H,3-4H2,1-2H3
InChIKeyZIJJPBFFTPOEDU-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.03
Rot. Bonds1

About methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate

methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate (PubChem CID 162787597) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate
PubChem CID162787597
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate
SMILESCOC(=O)C1COC(=O)C2C(C)C(O)CC12
InChIInChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h5-9,12H,3-4H2,1-2H3
InChIKeyZIJJPBFFTPOEDU-UHFFFAOYSA-N
XLogP-0.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate with MolForge

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Related Compounds

Jatamanin F
CID 46211039
Scabrol A
CID 71458435
Caiophoraenin
CID 3009696
Isopatriscabrol
CID 11019883
Patriscabrol
CID 11074397
(4aR,6R,7S,7aR)-6-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 155548961
Jatamanin G
CID 46211040
(4aR,6S,7R,7aR)-6-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 44566204
methyl (4R,4aS,5R,7S,7aR)-5-hydroxy-7-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-4-carboxylate
CID 118714806
(4aR,5R,7S,7aR)-5-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 118714807
6,7-Dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one
CID 10560655
ethyl (4R,4aR,7S,7aS)-7-hydroxy-7-methyl-1-oxo-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 10586236

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate?
The IUPAC name of methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate (CID 162787597) is methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate?
The canonical SMILES for methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate is COC(=O)C1COC(=O)C2C(C)C(O)CC12.
What is the InChIKey of methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate?
The InChIKey is ZIJJPBFFTPOEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h5-9,12H,3-4H2,1-2H3.
What are the key properties of methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate?
methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate has a molecular weight of 228.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carboxylate is sourced from PubChem (CID 162787597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).