[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane

C24H36O3Si — CID 18635396

IUPAC[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane
SMILESCC1=C2CC3(CCC2CC2C1=CC[C@@]1(C)C(O[Si](C)(C)C)=CCC21)OCCO3
InChIInChI=1S/C24H36O3Si/c1-16-18-9-10-23(2)21(6-7-22(23)27-28(3,4)5)19(18)14-17-8-11-24(15-20(16)17)25-12-13-26-24/h7,9,17,19,21H,6,8,10-15H2,1-5H3/t17?,19?,21?,23-/m1/s1
InChIKeyGNQAACWQVOEFDL-HANWIITRSA-N
MW400.64 g/mol
LogP5.96
Rot. Bonds2

About [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane

[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane (PubChem CID 18635396) has the molecular formula C24H36O3Si and a molecular weight of 400.64 g/mol. Its IUPAC name is [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane
PubChem CID18635396
Molecular FormulaC24H36O3Si
Molecular Weight400.64 g/mol
Exact Mass400.24
IUPAC Name[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane
SMILESCC1=C2CC3(CCC2CC2C1=CC[C@@]1(C)C(O[Si](C)(C)C)=CCC21)OCCO3
InChIInChI=1S/C24H36O3Si/c1-16-18-9-10-23(2)21(6-7-22(23)27-28(3,4)5)19(18)14-17-8-11-24(15-20(16)17)25-12-13-26-24/h7,9,17,19,21H,6,8,10-15H2,1-5H3/t17?,19?,21?,23-/m1/s1
InChIKeyGNQAACWQVOEFDL-HANWIITRSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane?
The IUPAC name of [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane (CID 18635396) is [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane?
The canonical SMILES for [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane is CC1=C2CC3(CCC2CC2C1=CC[C@@]1(C)C(O[Si](C)(C)C)=CCC21)OCCO3.
What is the InChIKey of [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane?
The InChIKey is GNQAACWQVOEFDL-HANWIITRSA-N. The full InChI is InChI=1S/C24H36O3Si/c1-16-18-9-10-23(2)21(6-7-22(23)27-28(3,4)5)19(18)14-17-8-11-24(15-20(16)17)25-12-13-26-24/h7,9,17,19,21H,6,8,10-15H2,1-5H3/t17?,19?,21?,23-/m1/s1.
What are the key properties of [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane?
[(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane has a molecular weight of 400.64 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'aR)-3'a,6'-dimethylspiro[1,3-dioxolane-2,8'-4,7,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene]-3'-yl]oxy-trimethylsilane is sourced from PubChem (CID 18635396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).