tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane

C62H99FO4SSi — CID 102075531

IUPACtert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane
SMILESC=C(O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1)C(F)CC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C62H99FO4SSi/c1-9-11-13-15-17-19-21-23-25-27-29-34-42-53(43-35-30-28-26-24-22-20-18-16-14-12-10-2)50-57(63)52(3)65-58(59-60(67-62(7,8)66-59)68-54-44-36-31-37-45-54)51-64-69(61(4,5)6,55-46-38-32-39-47-55)56-48-40-33-41-49-56/h31-33,36-41,44-49,53,57-60H,3,9-30,34-35,42-43,50-51H2,1-2,4-8H3/t57?,58-,59+,60+/m1/s1
InChIKeyCBNQFJVSNTWIIM-CYMLMBONSA-N
MW987.62 g/mol
LogP18.26
Rot. Bonds39

About tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane

tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane (PubChem CID 102075531) has the molecular formula C62H99FO4SSi and a molecular weight of 987.62 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane
PubChem CID102075531
Molecular FormulaC62H99FO4SSi
Molecular Weight987.62 g/mol
Exact Mass986.70
IUPAC Nametert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane
SMILESC=C(O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1)C(F)CC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C62H99FO4SSi/c1-9-11-13-15-17-19-21-23-25-27-29-34-42-53(43-35-30-28-26-24-22-20-18-16-14-12-10-2)50-57(63)52(3)65-58(59-60(67-62(7,8)66-59)68-54-44-36-31-37-45-54)51-64-69(61(4,5)6,55-46-38-32-39-47-55)56-48-40-33-41-49-56/h31-33,36-41,44-49,53,57-60H,3,9-30,34-35,42-43,50-51H2,1-2,4-8H3/t57?,58-,59+,60+/m1/s1
InChIKeyCBNQFJVSNTWIIM-CYMLMBONSA-N
XLogP18.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds39
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.62
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane 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

tert-butyl-[(2S)-2-[(2R,5S,6R)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 134969240
[(3aR,6R,7aR)-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 135041956
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluorohept-1-en-2-yloxy)ethoxy]-diphenylsilane
CID 102075530
tert-butyl-[3-[(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyloxolan-2-yl]propoxy]-diphenylsilane
CID 100947757
3-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]propoxy-tert-butyl-diphenylsilane
CID 161518504
(3aR,4R,6R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 166521241
tert-butyl-[(4R,5S,6S)-5-(methoxymethoxy)-4,6-dimethyl-8-phenylsulfanyloctoxy]-diphenylsilane
CID 10460547
tert-butyl-[(2S)-2-[(2R,5S)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 10815792
tert-butyl-[3-[(2S,3R,5R)-2,5-dimethyl-3-phenylsulfanyloxolan-2-yl]propoxy]-diphenylsilane
CID 10994756
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-nonadec-1-en-2-yloxyethoxy]-diphenylsilane
CID 11104702
2-[2-(1,4-Dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane
CID 23652044
tert-butyl-[3-[(2R,3S,5R)-2,5-dimethyl-3-phenylsulfanyloxolan-2-yl]propoxy]-diphenylsilane
CID 100947756

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane (CID 102075531) is tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane is C=C(O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1)C(F)CC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane?
The InChIKey is CBNQFJVSNTWIIM-CYMLMBONSA-N. The full InChI is InChI=1S/C62H99FO4SSi/c1-9-11-13-15-17-19-21-23-25-27-29-34-42-53(43-35-30-28-26-24-22-20-18-16-14-12-10-2)50-57(63)52(3)65-58(59-60(67-62(7,8)66-59)68-54-44-36-31-37-45-54)51-64-69(61(4,5)6,55-46-38-32-39-47-55)56-48-40-33-41-49-56/h31-33,36-41,44-49,53,57-60H,3,9-30,34-35,42-43,50-51H2,1-2,4-8H3/t57?,58-,59+,60+/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane?
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane has a molecular weight of 987.62 g/mol, XLogP of 18.26, 39 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane is sourced from PubChem (CID 102075531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).