trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane

C29H50OSi — CID 91749267

IUPACtrimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)C1CC[C@H](O[Si](C)(C)C)CC1=CC3
InChIInChI=1S/C29H50OSi/c1-20(2)9-8-10-21(3)27-15-16-28-26-13-11-22-19-23(30-31(5,6)7)12-14-24(22)25(26)17-18-29(27,28)4/h11,20-21,23-24,27-28H,8-10,12-19H2,1-7H3/t21-,23+,24?,27-,28?,29-/m1/s1
InChIKeyIQCMAKKNYXVJGX-CWYKHXMSSA-N
MW442.80 g/mol
LogP8.92
Rot. Bonds7

About trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane

trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane (PubChem CID 91749267) has the molecular formula C29H50OSi and a molecular weight of 442.80 g/mol. Its IUPAC name is trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
PubChem CID91749267
Molecular FormulaC29H50OSi
Molecular Weight442.80 g/mol
Exact Mass442.36
IUPAC Nametrimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)C1CC[C@H](O[Si](C)(C)C)CC1=CC3
InChIInChI=1S/C29H50OSi/c1-20(2)9-8-10-21(3)27-15-16-28-26-13-11-22-19-23(30-31(5,6)7)12-14-24(22)25(26)17-18-29(27,28)4/h11,20-21,23-24,27-28H,8-10,12-19H2,1-7H3/t21-,23+,24?,27-,28?,29-/m1/s1
InChIKeyIQCMAKKNYXVJGX-CWYKHXMSSA-N
XLogP8.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane with MolForge

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Related Compounds

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(22E,24R)-Ergosta-5,8,22-triene-3beta-ol
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[(3R,8R,9R,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
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Ergosta-5,8,22-trien-3-ol, (3beta,22E)-
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Ergosta-5,8-dien-3beta-ol
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Ergosterol TMS
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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The IUPAC name of trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane (CID 91749267) is trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane is CC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)C1CC[C@H](O[Si](C)(C)C)CC1=CC3.
What is the InChIKey of trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The InChIKey is IQCMAKKNYXVJGX-CWYKHXMSSA-N. The full InChI is InChI=1S/C29H50OSi/c1-20(2)9-8-10-21(3)27-15-16-28-26-13-11-22-19-23(30-31(5,6)7)12-14-24(22)25(26)17-18-29(27,28)4/h11,20-21,23-24,27-28H,8-10,12-19H2,1-7H3/t21-,23+,24?,27-,28?,29-/m1/s1.
What are the key properties of trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane has a molecular weight of 442.80 g/mol, XLogP of 8.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(3S,13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]silane is sourced from PubChem (CID 91749267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).