10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one

C25H36O5 — CID 567373

IUPAC10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one
SMILESCC1(C2CCC3C4CC=C5CC6(CCC5(C)C4C(=O)CC32C)OCCO6)OCCO1
InChIInChI=1S/C25H36O5/c1-22-8-9-25(29-12-13-30-25)14-16(22)4-5-17-18-6-7-20(24(3)27-10-11-28-24)23(18,2)15-19(26)21(17)22/h4,17-18,20-21H,5-15H2,1-3H3
InChIKeyHJMFHIVOPXIFAG-UHFFFAOYSA-N
MW416.56 g/mol
LogP4.25
Rot. Bonds1

About 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one

10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one (PubChem CID 567373) has the molecular formula C25H36O5 and a molecular weight of 416.56 g/mol. Its IUPAC name is 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one.

Molecular Properties

Compound Name10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one
PubChem CID567373
Molecular FormulaC25H36O5
Molecular Weight416.56 g/mol
Exact Mass416.26
IUPAC Name10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one
SMILESCC1(C2CCC3C4CC=C5CC6(CCC5(C)C4C(=O)CC32C)OCCO6)OCCO1
InChIInChI=1S/C25H36O5/c1-22-8-9-25(29-12-13-30-25)14-16(22)4-5-17-18-6-7-20(24(3)27-10-11-28-24)23(18,2)15-19(26)21(17)22/h4,17-18,20-21H,5-15H2,1-3H3
InChIKeyHJMFHIVOPXIFAG-UHFFFAOYSA-N
XLogP4.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one?
The IUPAC name of 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one (CID 567373) is 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one.
What is the SMILES notation for 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one?
The canonical SMILES for 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one is CC1(C2CCC3C4CC=C5CC6(CCC5(C)C4C(=O)CC32C)OCCO6)OCCO1.
What is the InChIKey of 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one?
The InChIKey is HJMFHIVOPXIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O5/c1-22-8-9-25(29-12-13-30-25)14-16(22)4-5-17-18-6-7-20(24(3)27-10-11-28-24)23(18,2)15-19(26)21(17)22/h4,17-18,20-21H,5-15H2,1-3H3.
What are the key properties of 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one?
10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one has a molecular weight of 416.56 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-11'-one is sourced from PubChem (CID 567373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).