tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane

C25H54O3Si3 — CID 177446377

IUPACtert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@H]1C=C(O[Si](C)(C)C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C25H54O3Si3/c1-20(18-26-30(11,12)24(2,3)4)21-15-16-22(23(17-21)28-29(8,9)10)19-27-31(13,14)25(5,6)7/h17,20-22H,15-16,18-19H2,1-14H3/t20?,21-,22?/m1/s1
InChIKeyOGOZWGDIMLAYFQ-ATKRNPRHSA-N
MW486.96 g/mol
LogP8.43
Rot. Bonds9

About tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane

tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane (PubChem CID 177446377) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
PubChem CID177446377
Molecular FormulaC25H54O3Si3
Molecular Weight486.96 g/mol
Exact Mass486.34
IUPAC Nametert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@H]1C=C(O[Si](C)(C)C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C25H54O3Si3/c1-20(18-26-30(11,12)24(2,3)4)21-15-16-22(23(17-21)28-29(8,9)10)19-27-31(13,14)25(5,6)7/h17,20-22H,15-16,18-19H2,1-14H3/t20?,21-,22?/m1/s1
InChIKeyOGOZWGDIMLAYFQ-ATKRNPRHSA-N
XLogP8.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane 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

tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
CID 58760686
tert-butyl-dimethyl-[2-(5-trimethylsilyloxy-3,4-dihydro-2H-thiopyran-4-yl)ethoxy]silane
CID 139700383
tert-butyl-dimethyl-[3-(5-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl)propoxy]silane
CID 139700392
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
CID 11185456
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane
CID 11065465
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 11033877
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(1R,3aR,4S,7aR)-1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 139917251
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane (CID 177446377) is tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane is CC(CO[Si](C)(C)C(C)(C)C)[C@H]1C=C(O[Si](C)(C)C)C(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane?
The InChIKey is OGOZWGDIMLAYFQ-ATKRNPRHSA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-20(18-26-30(11,12)24(2,3)4)21-15-16-22(23(17-21)28-29(8,9)10)19-27-31(13,14)25(5,6)7/h17,20-22H,15-16,18-19H2,1-14H3/t20?,21-,22?/m1/s1.
What are the key properties of tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane?
tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 177446377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).