tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane

C33H70O2Si2 — CID 11215040

IUPACtert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
SMILESC=CC[C@H](CC[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H70O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-31(35-37(11,12)33(6,7)8)29-28-30(26-14-2)34-36(9,10)32(3,4)5/h14,30-31H,2,13,15-29H2,1,3-12H3/t30-,31-/m1/s1
InChIKeyNVEMALSWUSLYNY-FIRIVFDPSA-N
MW555.09 g/mol
LogP12.21
Rot. Bonds22

About tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane

tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane (PubChem CID 11215040) has the molecular formula C33H70O2Si2 and a molecular weight of 555.09 g/mol. Its IUPAC name is tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
PubChem CID11215040
Molecular FormulaC33H70O2Si2
Molecular Weight555.09 g/mol
Exact Mass554.49
IUPAC Nametert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
SMILESC=CC[C@H](CC[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H70O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-31(35-37(11,12)33(6,7)8)29-28-30(26-14-2)34-36(9,10)32(3,4)5/h14,30-31H,2,13,15-29H2,1,3-12H3/t30-,31-/m1/s1
InChIKeyNVEMALSWUSLYNY-FIRIVFDPSA-N
XLogP12.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.09
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane
CID 86053175
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propane-1-thiol
CID 172557041
[(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enyl] prop-2-enoate
CID 174059908
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
4-ethenoxyundec-1-ene
CID 101420327
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
4-methoxynon-1-ene
CID 13284925

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane (CID 11215040) is tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane is C=CC[C@H](CC[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane?
The InChIKey is NVEMALSWUSLYNY-FIRIVFDPSA-N. The full InChI is InChI=1S/C33H70O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-31(35-37(11,12)33(6,7)8)29-28-30(26-14-2)34-36(9,10)32(3,4)5/h14,30-31H,2,13,15-29H2,1,3-12H3/t30-,31-/m1/s1.
What are the key properties of tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane?
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane has a molecular weight of 555.09 g/mol, XLogP of 12.21, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane is sourced from PubChem (CID 11215040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).