tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane

C28H42O3S2Si — CID 134878579

IUPACtert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
SMILESCCSC(C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1)SCC
InChIInChI=1S/C28H42O3S2Si/c1-8-32-26(33-9-2)20-24(25-21-29-28(6,7)30-25)31-34(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1
InChIKeyLGQONOBSPZJRKM-JWQCQUIFSA-N
MW518.86 g/mol
LogP6.31
Rot. Bonds11

About tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane

tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane (PubChem CID 134878579) has the molecular formula C28H42O3S2Si and a molecular weight of 518.86 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
PubChem CID134878579
Molecular FormulaC28H42O3S2Si
Molecular Weight518.86 g/mol
Exact Mass518.23
IUPAC Nametert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
SMILESCCSC(C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1)SCC
InChIInChI=1S/C28H42O3S2Si/c1-8-32-26(33-9-2)20-24(25-21-29-28(6,7)30-25)31-34(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1
InChIKeyLGQONOBSPZJRKM-JWQCQUIFSA-N
XLogP6.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.86
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-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-[(2R,3S)-4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 134878188
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]butan-2-ol
CID 11071805
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol
CID 11373577
[2-[2-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 11743440
tert-butyl-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
tert-butyl-[(2R,3S)-3-(2-methoxyethoxymethoxy)-2-methyl-4-(2-tributylstannyl-1,3-dithian-2-yl)butoxy]-diphenylsilane
CID 134878277
(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dithian-2-yl]butan-2-ol
CID 134878532
tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 135019979
tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane
CID 135021097
[(3aR,7S,7aS)-2,2-dimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 135078545
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-diphenylsilane
CID 10884105

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane (CID 134878579) is tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane is CCSC(C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1)SCC.
What is the InChIKey of tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane?
The InChIKey is LGQONOBSPZJRKM-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H42O3S2Si/c1-8-32-26(33-9-2)20-24(25-21-29-28(6,7)30-25)31-34(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26H,8-9,20-21H2,1-7H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane?
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane has a molecular weight of 518.86 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane is sourced from PubChem (CID 134878579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).