1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane

C30H58O3Si3 — CID 553619

IUPAC1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)C1(O[Si](C)(C)C)CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C
InChIInChI=1S/C30H58O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h13,22,24-27H,14-21H2,1-12H3
InChIKeyLKYVWFBGNWTZFW-UHFFFAOYSA-N
MW551.05 g/mol
LogP9.00
Rot. Bonds7

About 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane

1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane (PubChem CID 553619) has the molecular formula C30H58O3Si3 and a molecular weight of 551.05 g/mol. Its IUPAC name is 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane.

Molecular Properties

Compound Name1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
PubChem CID553619
Molecular FormulaC30H58O3Si3
Molecular Weight551.05 g/mol
Exact Mass550.37
IUPAC Name1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)C1(O[Si](C)(C)C)CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C
InChIInChI=1S/C30H58O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h13,22,24-27H,14-21H2,1-12H3
InChIKeyLKYVWFBGNWTZFW-UHFFFAOYSA-N
XLogP9.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?
The IUPAC name of 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane (CID 553619) is 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane.
What is the SMILES notation for 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?
The canonical SMILES for 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane is CC(O[Si](C)(C)C)C1(O[Si](C)(C)C)CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C.
What is the InChIKey of 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?
The InChIKey is LKYVWFBGNWTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h13,22,24-27H,14-21H2,1-12H3.
What are the key properties of 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?
1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane has a molecular weight of 551.05 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane is sourced from PubChem (CID 553619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).