tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane

C31H66O2Si2 — CID 46180567

IUPACtert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C[C@@H](CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H66O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-26-29(33-35(11,12)31(6,7)8)27-28(25-14-2)32-34(9,10)30(3,4)5/h14,28-29H,2,13,15-27H2,1,3-12H3/t28-,29-/m1/s1
InChIKeyXOHOCBOPIJSQAM-FQLXRVMXSA-N
MW527.04 g/mol
LogP11.43
Rot. Bonds20

About tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane

tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane (PubChem CID 46180567) has the molecular formula C31H66O2Si2 and a molecular weight of 527.04 g/mol. Its IUPAC name is tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
PubChem CID46180567
Molecular FormulaC31H66O2Si2
Molecular Weight527.04 g/mol
Exact Mass526.46
IUPAC Nametert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C[C@@H](CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H66O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-26-29(33-35(11,12)31(6,7)8)27-28(25-14-2)32-34(9,10)30(3,4)5/h14,28-29H,2,13,15-27H2,1,3-12H3/t28-,29-/m1/s1
InChIKeyXOHOCBOPIJSQAM-FQLXRVMXSA-N
XLogP11.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.04
LogP ≤ 511.43
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(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
1-Triethylsilyloxyundec-10-ene
CID 568575
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
1-Fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
CID 175115935
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
bis(Dec-9-en-1-yloxy)(dimethyl)silane
CID 91697227
1,3-bis[(1-Ethenylhexyl)oxy]-1,1,3,3-tetramethyldisiloxane
CID 91720811
Silane, dimethyl(dimethyl(but-3-enyloxy)silyloxy)octadecyloxy-
CID 91720882

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane (CID 46180567) is tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane is C=CC[C@H](C[C@@H](CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane?
The InChIKey is XOHOCBOPIJSQAM-FQLXRVMXSA-N. The full InChI is InChI=1S/C31H66O2Si2/c1-13-15-16-17-18-19-20-21-22-23-24-26-29(33-35(11,12)31(6,7)8)27-28(25-14-2)32-34(9,10)30(3,4)5/h14,28-29H,2,13,15-27H2,1,3-12H3/t28-,29-/m1/s1.
What are the key properties of tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane?
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane has a molecular weight of 527.04 g/mol, XLogP of 11.43, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 46180567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).