[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane

C34H64O2Si2 — CID 582127

IUPAC[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane
SMILESCC(CCC(C)C(C)(C)O[Si](C)(C)C)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C
InChIInChI=1S/C34H64O2Si2/c1-24(13-14-25(2)32(3,4)36-38(10,11)12)29-17-18-30-28-16-15-26-23-27(35-37(7,8)9)19-21-33(26,5)31(28)20-22-34(29,30)6/h15,24-25,27-31H,13-14,16-23H2,1-12H3
InChIKeyBGKAEWXFXHEFSY-UHFFFAOYSA-N
MW561.06 g/mol
LogP10.47
Rot. Bonds9

About [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane

[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane (PubChem CID 582127) has the molecular formula C34H64O2Si2 and a molecular weight of 561.06 g/mol. Its IUPAC name is [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane
PubChem CID582127
Molecular FormulaC34H64O2Si2
Molecular Weight561.06 g/mol
Exact Mass560.44
IUPAC Name[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane
SMILESCC(CCC(C)C(C)(C)O[Si](C)(C)C)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C
InChIInChI=1S/C34H64O2Si2/c1-24(13-14-25(2)32(3,4)36-38(10,11)12)29-17-18-30-28-16-15-26-23-27(35-37(7,8)9)19-21-33(26,5)31(28)20-22-34(29,30)6/h15,24-25,27-31H,13-14,16-23H2,1-12H3
InChIKeyBGKAEWXFXHEFSY-UHFFFAOYSA-N
XLogP10.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.06
LogP ≤ 510.47
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'}

Analyze [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane with MolForge

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Related Compounds

[(3S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-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
CID 91753717
[(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 22211625
(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-ol
CID 100979276
[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-trimethylsilyloxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 6428012
4-[3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanal
CID 21017718
tert-butyl-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 171394394
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-triethylsilane
CID 635359
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-ethyl-dimethylsilane
CID 6423164
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,2-dimethylheptan-3-ol
CID 145230710
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2S)-but-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-tert-butyl-dimethylsilane
CID 89249828
[(10R,13S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91749403
[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91739846

Frequently Asked Questions

What is the IUPAC name of [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane?
The IUPAC name of [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane (CID 582127) is [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane is CC(CCC(C)C(C)(C)O[Si](C)(C)C)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C.
What is the InChIKey of [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane?
The InChIKey is BGKAEWXFXHEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64O2Si2/c1-24(13-14-25(2)32(3,4)36-38(10,11)12)29-17-18-30-28-16-15-26-23-27(35-37(7,8)9)19-21-33(26,5)31(28)20-22-34(29,30)6/h15,24-25,27-31H,13-14,16-23H2,1-12H3.
What are the key properties of [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane?
[6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane has a molecular weight of 561.06 g/mol, XLogP of 10.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,3-dimethylheptan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 582127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).