triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane

C30H66O3Si4 — CID 166440883

IUPACtriethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane
SMILESCC[Si](CC)(CC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H66O3Si4/c1-19-37(20-2,21-3)24-22-25(31-34(13,14)28(4,5)6)27(33-36(17,18)30(10,11)12)26(23-24)32-35(15,16)29(7,8)9/h22,25-27H,19-21,23H2,1-18H3/t25-,26-,27-/m1/s1
InChIKeyJENNJGIVKBMPDA-ZONZVBGPSA-N
MW587.20 g/mol
LogP10.54
Rot. Bonds10

About triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane

triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane (PubChem CID 166440883) has the molecular formula C30H66O3Si4 and a molecular weight of 587.20 g/mol. Its IUPAC name is triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane.

Molecular Properties

Compound Nametriethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane
PubChem CID166440883
Molecular FormulaC30H66O3Si4
Molecular Weight587.20 g/mol
Exact Mass586.41
IUPAC Nametriethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane
SMILESCC[Si](CC)(CC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H66O3Si4/c1-19-37(20-2,21-3)24-22-25(31-34(13,14)28(4,5)6)27(33-36(17,18)30(10,11)12)26(23-24)32-35(15,16)29(7,8)9/h22,25-27H,19-21,23H2,1-18H3/t25-,26-,27-/m1/s1
InChIKeyJENNJGIVKBMPDA-ZONZVBGPSA-N
XLogP10.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.20
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
(5S,6S,8S)-6-[(tert-Butyldimethylsilyl)oxy]-2,2,3,3,8,10,10,11,11-nonamethyl-5-[(1E,3E)-2-methyl-4-(tributylstannyl)buta-1,3-dien-1-yl]-4,9-dioxa-3,10-disiladodecane
CID 131741561
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
CID 134858143
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
tert-butyl-dimethyl-[(Z)-4-trimethylsilyl-3-tri(propan-2-yl)silyloxyhex-4-en-2-yl]oxysilane
CID 135002741
tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
CID 135059486
[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
CID 135066594
[(2E,7E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
CID 176431370

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane?
The IUPAC name of triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane (CID 166440883) is triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane.
What is the SMILES notation for triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane?
The canonical SMILES for triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane is CC[Si](CC)(CC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane?
The InChIKey is JENNJGIVKBMPDA-ZONZVBGPSA-N. The full InChI is InChI=1S/C30H66O3Si4/c1-19-37(20-2,21-3)24-22-25(31-34(13,14)28(4,5)6)27(33-36(17,18)30(10,11)12)26(23-24)32-35(15,16)29(7,8)9/h22,25-27H,19-21,23H2,1-18H3/t25-,26-,27-/m1/s1.
What are the key properties of triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane?
triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane has a molecular weight of 587.20 g/mol, XLogP of 10.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane is sourced from PubChem (CID 166440883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).