(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

C25H46O2Si2 — CID 552474

IUPAC(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12CCCC=C1CCC1C2C(O[Si](C)(C)C)CC2(C)C(O[Si](C)(C)C)CCC12
InChIInChI=1S/C25H46O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h11,19-23H,9-10,12-17H2,1-8H3
InChIKeyFDOHIUSULDGDRG-UHFFFAOYSA-N
MW434.81 g/mol
LogP7.39
Rot. Bonds4

About (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (PubChem CID 552474) has the molecular formula C25H46O2Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
PubChem CID552474
Molecular FormulaC25H46O2Si2
Molecular Weight434.81 g/mol
Exact Mass434.30
IUPAC Name(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12CCCC=C1CCC1C2C(O[Si](C)(C)C)CC2(C)C(O[Si](C)(C)C)CCC12
InChIInChI=1S/C25H46O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h11,19-23H,9-10,12-17H2,1-8H3
InChIKeyFDOHIUSULDGDRG-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The IUPAC name of (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (CID 552474) is (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.
What is the SMILES notation for (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The canonical SMILES for (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is CC12CCCC=C1CCC1C2C(O[Si](C)(C)C)CC2(C)C(O[Si](C)(C)C)CCC12.
What is the InChIKey of (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
The InChIKey is FDOHIUSULDGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h11,19-23H,9-10,12-17H2,1-8H3.
What are the key properties of (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
(10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane has a molecular weight of 434.81 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10,13-dimethyl-11-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is sourced from PubChem (CID 552474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).