tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane

C33H48O2Si — CID 71816566

IUPACtert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
SMILESCCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccco1
InChIInChI=1S/C33H48O2Si/c1-5-6-7-8-9-10-11-12-13-20-26-32(31-27-21-28-34-31)35-36(33(2,3)4,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h14-19,21-25,27-28,32H,5-13,20,26H2,1-4H3/t32-/m0/s1
InChIKeyOTARNHHLNLNBEU-YTTGMZPUSA-N
MW504.83 g/mol
LogP9.21
Rot. Bonds16

About tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane

tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane (PubChem CID 71816566) has the molecular formula C33H48O2Si and a molecular weight of 504.83 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
PubChem CID71816566
Molecular FormulaC33H48O2Si
Molecular Weight504.83 g/mol
Exact Mass504.34
IUPAC Nametert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
SMILESCCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccco1
InChIInChI=1S/C33H48O2Si/c1-5-6-7-8-9-10-11-12-13-20-26-32(31-27-21-28-34-31)35-36(33(2,3)4,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h14-19,21-25,27-28,32H,5-13,20,26H2,1-4H3/t32-/m0/s1
InChIKeyOTARNHHLNLNBEU-YTTGMZPUSA-N
XLogP9.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.83
LogP ≤ 59.21
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'}

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Related Compounds

tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
CID 11415303
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane (CID 71816566) is tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane is CCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane?
The InChIKey is OTARNHHLNLNBEU-YTTGMZPUSA-N. The full InChI is InChI=1S/C33H48O2Si/c1-5-6-7-8-9-10-11-12-13-20-26-32(31-27-21-28-34-31)35-36(33(2,3)4,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h14-19,21-25,27-28,32H,5-13,20,26H2,1-4H3/t32-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane?
tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane has a molecular weight of 504.83 g/mol, XLogP of 9.21, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane is sourced from PubChem (CID 71816566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).