[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane

C33H74O4Si3 — CID 58822508

IUPAC[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
SMILESCOC(C)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H74O4Si3/c1-24(22-25(2)30(27(4)28(5)34-15)37-40(20,21)33(12,13)14)29(36-39(18,19)32(9,10)11)26(3)23-35-38(16,17)31(6,7)8/h24-30H,22-23H2,1-21H3
InChIKeyLKOIAWUXKKAOQH-UHFFFAOYSA-N
MW619.21 g/mol
LogP10.76
Rot. Bonds15

About [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane

[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane (PubChem CID 58822508) has the molecular formula C33H74O4Si3 and a molecular weight of 619.21 g/mol. Its IUPAC name is [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
PubChem CID58822508
Molecular FormulaC33H74O4Si3
Molecular Weight619.21 g/mol
Exact Mass618.49
IUPAC Name[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
SMILESCOC(C)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H74O4Si3/c1-24(22-25(2)30(27(4)28(5)34-15)37-40(20,21)33(12,13)14)29(36-39(18,19)32(9,10)11)26(3)23-35-38(16,17)31(6,7)8/h24-30H,22-23H2,1-21H3
InChIKeyLKOIAWUXKKAOQH-UHFFFAOYSA-N
XLogP10.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.21
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-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

[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
CID 71664998
tert-butyl-[(2R,3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-3-yl]oxy-dimethylsilane
CID 16754070
(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
CID 122219893
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate
CID 23253285
(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
CID 57387274
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
CID 101128575

Frequently Asked Questions

What is the IUPAC name of [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane (CID 58822508) is [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane is COC(C)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane?
The InChIKey is LKOIAWUXKKAOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H74O4Si3/c1-24(22-25(2)30(27(4)28(5)34-15)37-40(20,21)33(12,13)14)29(36-39(18,19)32(9,10)11)26(3)23-35-38(16,17)31(6,7)8/h24-30H,22-23H2,1-21H3.
What are the key properties of [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane?
[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane has a molecular weight of 619.21 g/mol, XLogP of 10.76, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 58822508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).