(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol

C30H50O4S2Si — CID 11114461

IUPAC(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol
SMILESCOC(C)(C)O[C@H](c1ccccc1CO[Si](C)(C)C(C)(C)C)[C@@H](O)C1=C(C)CCC2(SCCS2)C1(C)C
InChIInChI=1S/C30H50O4S2Si/c1-21-16-17-30(35-18-19-36-30)28(5,6)24(21)25(31)26(34-29(7,8)32-9)23-15-13-12-14-22(23)20-33-37(10,11)27(2,3)4/h12-15,25-26,31H,16-20H2,1-11H3/t25-,26+/m0/s1
InChIKeyXPZZCWUEGYGNMP-IZZNHLLZSA-N
MW566.95 g/mol
LogP8.32
Rot. Bonds9

About (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol

(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol (PubChem CID 11114461) has the molecular formula C30H50O4S2Si and a molecular weight of 566.95 g/mol. Its IUPAC name is (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol
PubChem CID11114461
Molecular FormulaC30H50O4S2Si
Molecular Weight566.95 g/mol
Exact Mass566.29
IUPAC Name(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol
SMILESCOC(C)(C)O[C@H](c1ccccc1CO[Si](C)(C)C(C)(C)C)[C@@H](O)C1=C(C)CCC2(SCCS2)C1(C)C
InChIInChI=1S/C30H50O4S2Si/c1-21-16-17-30(35-18-19-36-30)28(5,6)24(21)25(31)26(34-29(7,8)32-9)23-15-13-12-14-22(23)20-33-37(10,11)27(2,3)4/h12-15,25-26,31H,16-20H2,1-11H3/t25-,26+/m0/s1
InChIKeyXPZZCWUEGYGNMP-IZZNHLLZSA-N
XLogP8.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.95
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 10875161
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
[(1R,2S)-2-acetyloxy-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethoxyphenyl]-2-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)ethyl] acetate
CID 10507139
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
CID 158962820
methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate
CID 135053350
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol?
The IUPAC name of (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol (CID 11114461) is (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol.
What is the SMILES notation for (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol?
The canonical SMILES for (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol is COC(C)(C)O[C@H](c1ccccc1CO[Si](C)(C)C(C)(C)C)[C@@H](O)C1=C(C)CCC2(SCCS2)C1(C)C.
What is the InChIKey of (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol?
The InChIKey is XPZZCWUEGYGNMP-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H50O4S2Si/c1-21-16-17-30(35-18-19-36-30)28(5,6)24(21)25(31)26(34-29(7,8)32-9)23-15-13-12-14-22(23)20-33-37(10,11)27(2,3)4/h12-15,25-26,31H,16-20H2,1-11H3/t25-,26+/m0/s1.
What are the key properties of (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol?
(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol has a molecular weight of 566.95 g/mol, XLogP of 8.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol is sourced from PubChem (CID 11114461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).