4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one

C17H24O4 — CID 3365551

IUPAC4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one
SMILESCC12CCC3(CC1=CCC1C(=O)CCC(O)C12)OCCO3
InChIInChI=1S/C17H24O4/c1-16-6-7-17(20-8-9-21-17)10-11(16)2-3-12-13(18)4-5-14(19)15(12)16/h2,12,14-15,19H,3-10H2,1H3
InChIKeyPZXUFJBGOMAZIY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds

About 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one

4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one (PubChem CID 3365551) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one.

Molecular Properties

Compound Name4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one
PubChem CID3365551
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one
SMILESCC12CCC3(CC1=CCC1C(=O)CCC(O)C12)OCCO3
InChIInChI=1S/C17H24O4/c1-16-6-7-17(20-8-9-21-17)10-11(16)2-3-12-13(18)4-5-14(19)15(12)16/h2,12,14-15,19H,3-10H2,1H3
InChIKeyPZXUFJBGOMAZIY-UHFFFAOYSA-N
XLogP2.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one?
The IUPAC name of 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one (CID 3365551) is 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one.
What is the SMILES notation for 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one?
The canonical SMILES for 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one is CC12CCC3(CC1=CCC1C(=O)CCC(O)C12)OCCO3.
What is the InChIKey of 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one?
The InChIKey is PZXUFJBGOMAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-16-6-7-17(20-8-9-21-17)10-11(16)2-3-12-13(18)4-5-14(19)15(12)16/h2,12,14-15,19H,3-10H2,1H3.
What are the key properties of 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one?
4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one has a molecular weight of 292.38 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-4'b-methylspiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthrene]-1'-one is sourced from PubChem (CID 3365551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).