trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane

C26H44O3Si — CID 154412827

IUPACtrimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane
SMILESCC1OCCO[C@@]12CC[C@H]1[C@@H]3CC[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]12C
InChIInChI=1S/C26H44O3Si/c1-18-26(28-16-15-27-18)14-11-23-21-8-7-19-17-20(29-30(4,5)6)9-12-24(19,2)22(21)10-13-25(23,26)3/h17-19,21-23H,7-16H2,1-6H3/t18?,19-,21+,22-,23-,24-,25-,26-/m0/s1
InChIKeyAWVNXJYMSCPZPE-ILIGICCYSA-N
MW432.72 g/mol
LogP6.55
Rot. Bonds2

About trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane

trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane (PubChem CID 154412827) has the molecular formula C26H44O3Si and a molecular weight of 432.72 g/mol. Its IUPAC name is trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane
PubChem CID154412827
Molecular FormulaC26H44O3Si
Molecular Weight432.72 g/mol
Exact Mass432.31
IUPAC Nametrimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane
SMILESCC1OCCO[C@@]12CC[C@H]1[C@@H]3CC[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]12C
InChIInChI=1S/C26H44O3Si/c1-18-26(28-16-15-27-18)14-11-23-21-8-7-19-17-20(29-30(4,5)6)9-12-24(19,2)22(21)10-13-25(23,26)3/h17-19,21-23H,7-16H2,1-6H3/t18?,19-,21+,22-,23-,24-,25-,26-/m0/s1
InChIKeyAWVNXJYMSCPZPE-ILIGICCYSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane with MolForge

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Related Compounds

[(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 91748437
10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 588408
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-cyclopentyloxy-10,13-dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 155804902
(17-acetyl-6,10,13-trimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate
CID 588439
[(5R,8R,9S,10S,13S,14S,17R)-3',10-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-13-yl]methanol
CID 154340879
2-(10,13-dimethyl-3-nitroso-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-1,3-dioxolane
CID 90715644
trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
CID 91745450
(1'S,2R,2'R,3'R,5'R,11'R,12'S,16'S)-2',3,16'-trimethylspiro[1,4-dioxane-2,15'-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-diene]-6'-one
CID 139715126
trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 24893354
(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3'-[(E)-3-phenylprop-2-enyl]spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-ol
CID 154446907
(5'R,8'S,9'R,10'S,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-one
CID 124911722
(5'R,8'R,9'S,10'S,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-one
CID 11868104

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane?
The IUPAC name of trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane (CID 154412827) is trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane is CC1OCCO[C@@]12CC[C@H]1[C@@H]3CC[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]12C.
What is the InChIKey of trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane?
The InChIKey is AWVNXJYMSCPZPE-ILIGICCYSA-N. The full InChI is InChI=1S/C26H44O3Si/c1-18-26(28-16-15-27-18)14-11-23-21-8-7-19-17-20(29-30(4,5)6)9-12-24(19,2)22(21)10-13-25(23,26)3/h17-19,21-23H,7-16H2,1-6H3/t18?,19-,21+,22-,23-,24-,25-,26-/m0/s1.
What are the key properties of trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane?
trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane has a molecular weight of 432.72 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,4-dioxane]-3-yl]oxysilane is sourced from PubChem (CID 154412827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).