5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one

C10H16O3 — CID 100976532

IUPAC5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one
SMILESCOC1(C)C(=O)CC2OCCCC21
InChIInChI=1S/C10H16O3/c1-10(12-2)7-4-3-5-13-8(7)6-9(10)11/h7-8H,3-6H2,1-2H3
InChIKeyVHWHYIDQQMRAGQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.16
Rot. Bonds1

About 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one

5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one (PubChem CID 100976532) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one
PubChem CID100976532
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one
SMILESCOC1(C)C(=O)CC2OCCCC21
InChIInChI=1S/C10H16O3/c1-10(12-2)7-4-3-5-13-8(7)6-9(10)11/h7-8H,3-6H2,1-2H3
InChIKeyVHWHYIDQQMRAGQ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one?
The IUPAC name of 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one (CID 100976532) is 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one.
What is the SMILES notation for 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one?
The canonical SMILES for 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one is COC1(C)C(=O)CC2OCCCC21.
What is the InChIKey of 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one?
The InChIKey is VHWHYIDQQMRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(12-2)7-4-3-5-13-8(7)6-9(10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one?
5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one has a molecular weight of 184.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyran-6-one is sourced from PubChem (CID 100976532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).