(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

C25H40O2Si2 — CID 91696786

IUPAC(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)=CCC12
InChIInChI=1S/C25H40O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,12-13,15,17,20-22H,10-11,14,16H2,1-8H3
InChIKeyFDLXAQMQAOPIDT-UHFFFAOYSA-N
MW428.77 g/mol
LogP7.42
Rot. Bonds4

About (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (PubChem CID 91696786) has the molecular formula C25H40O2Si2 and a molecular weight of 428.77 g/mol. Its IUPAC name is (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
PubChem CID91696786
Molecular FormulaC25H40O2Si2
Molecular Weight428.77 g/mol
Exact Mass428.26
IUPAC Name(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)=CCC12
InChIInChI=1S/C25H40O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,12-13,15,17,20-22H,10-11,14,16H2,1-8H3
InChIKeyFDLXAQMQAOPIDT-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,17-Bis[(trimethylsilyl)oxy]androsta-3,5-diene
CID 520208
Dehydroepiandrosterone, o,o'-bis(trimethylsilyl)-
CID 553969
5alpha-Androstan-3,17-dione, 3,17-bis(trimethylsilyl) enol ether
CID 6421188
Silane, [[(17beta)-androsta-3,5-diene-3,17-diyl]bis(oxy)]bis[trimethyl-
CID 6432275
5-Androsten-3beta-ol-17-one, TMS
CID 13635798
Boldenone, di-trimethylsilyl
CID 14299593
Nandrolone, di-trimethylsilyl
CID 14299643
Bolasterone, di-trimethylsilyl
CID 78409497
Methandriol, di-trimethylsilyl
CID 78409509
Boldenone metabolite, di-trimethylsilyl
CID 91696754
Metenolone, di-trimethylsilyl
CID 91731953
Androsta-1,4-dien-17beta-ol-3-one,bis-TMS
CID 91748393

Frequently Asked Questions

What is the IUPAC name of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The IUPAC name of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (CID 91696786) is (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.
What is the SMILES notation for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The canonical SMILES for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is CC12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)=CCC12.
What is the InChIKey of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The InChIKey is FDLXAQMQAOPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,12-13,15,17,20-22H,10-11,14,16H2,1-8H3.
What are the key properties of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane has a molecular weight of 428.77 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is sourced from PubChem (CID 91696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).