4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one

C23H32O4 — CID 75608015

IUPAC4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one
SMILESC=CCC1(CC=C)CC(O)C2C(CC=C3CC4(CCC32C)OCCO4)C1=O
InChIInChI=1S/C23H32O4/c1-4-8-22(9-5-2)15-18(24)19-17(20(22)25)7-6-16-14-23(26-12-13-27-23)11-10-21(16,19)3/h4-6,17-19,24H,1-2,7-15H2,3H3
InChIKeyQHQOIHNSBHTJLJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.95
Rot. Bonds4

About 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one

4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one (PubChem CID 75608015) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one.

Molecular Properties

Compound Name4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one
PubChem CID75608015
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one
SMILESC=CCC1(CC=C)CC(O)C2C(CC=C3CC4(CCC32C)OCCO4)C1=O
InChIInChI=1S/C23H32O4/c1-4-8-22(9-5-2)15-18(24)19-17(20(22)25)7-6-16-14-23(26-12-13-27-23)11-10-21(16,19)3/h4-6,17-19,24H,1-2,7-15H2,3H3
InChIKeyQHQOIHNSBHTJLJ-UHFFFAOYSA-N
XLogP3.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.95
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-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one?
The IUPAC name of 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one (CID 75608015) is 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one.
What is the SMILES notation for 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one?
The canonical SMILES for 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one is C=CCC1(CC=C)CC(O)C2C(CC=C3CC4(CCC32C)OCCO4)C1=O.
What is the InChIKey of 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one?
The InChIKey is QHQOIHNSBHTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-4-8-22(9-5-2)15-18(24)19-17(20(22)25)7-6-16-14-23(26-12-13-27-23)11-10-21(16,19)3/h4-6,17-19,24H,1-2,7-15H2,3H3.
What are the key properties of 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one?
4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one has a molecular weight of 372.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-4'b-methyl-2',2'-bis(prop-2-enyl)spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8,10,10a-octahydrophenanthrene]-1'-one is sourced from PubChem (CID 75608015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).