1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one

C17H22O3 — CID 11254338

IUPAC1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one
SMILESCC1=CCCC(C)(C)C12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C17H22O3/c1-10-7-6-8-16(4,5)17(10)9-13-14(20-17)11(2)12(3)19-15(13)18/h7H,6,8-9H2,1-5H3
InChIKeyIHPWCPNVKVGFPF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.70
Rot. Bonds

About 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one

1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one (PubChem CID 11254338) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one.

Molecular Properties

Compound Name1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one
PubChem CID11254338
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one
SMILESCC1=CCCC(C)(C)C12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C17H22O3/c1-10-7-6-8-16(4,5)17(10)9-13-14(20-17)11(2)12(3)19-15(13)18/h7H,6,8-9H2,1-5H3
InChIKeyIHPWCPNVKVGFPF-UHFFFAOYSA-N
XLogP3.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one?
The IUPAC name of 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one (CID 11254338) is 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one.
What is the SMILES notation for 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one?
The canonical SMILES for 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one is CC1=CCCC(C)(C)C12Cc1c(c(C)c(C)oc1=O)O2.
What is the InChIKey of 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one?
The InChIKey is IHPWCPNVKVGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-10-7-6-8-16(4,5)17(10)9-13-14(20-17)11(2)12(3)19-15(13)18/h7H,6,8-9H2,1-5H3.
What are the key properties of 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one?
1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one has a molecular weight of 274.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5',5',6,7-pentamethylspiro[3H-furo[3,2-c]pyran-2,6'-cyclohexene]-4-one is sourced from PubChem (CID 11254338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).