tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane

C34H52O3SSi2 — CID 10077261

IUPACtert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C[C@@H](CC1=CCCCS1)OCOCC[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H52O3SSi2/c1-8-17-29(26-30(27-31-18-15-16-24-38-31)36-28-35-23-25-39(5,6)7)37-40(34(2,3)4,32-19-11-9-12-20-32)33-21-13-10-14-22-33/h8-14,18-22,29-30H,1,15-17,23-28H2,2-7H3/t29-,30-/m0/s1
InChIKeyHBIPFMPEJUQTSQ-KYJUHHDHSA-N
MW597.03 g/mol
LogP8.40
Rot. Bonds16

About tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane

tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane (PubChem CID 10077261) has the molecular formula C34H52O3SSi2 and a molecular weight of 597.03 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane
PubChem CID10077261
Molecular FormulaC34H52O3SSi2
Molecular Weight597.03 g/mol
Exact Mass596.32
IUPAC Nametert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C[C@@H](CC1=CCCCS1)OCOCC[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H52O3SSi2/c1-8-17-29(26-30(27-31-18-15-16-24-38-31)36-28-35-23-25-39(5,6)7)37-40(34(2,3)4,32-19-11-9-12-20-32)33-21-13-10-14-22-33/h8-14,18-22,29-30H,1,15-17,23-28H2,2-7H3/t29-,30-/m0/s1
InChIKeyHBIPFMPEJUQTSQ-KYJUHHDHSA-N
XLogP8.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.03
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-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
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
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
CID 134878579
Tert-butyl-[4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 21678644
(6R)-2,2,26,26-tetramethyl-6-(oxan-2-yloxy)-3,3-diphenyl-4,8-dioxa-25-thia-3-silaheptacosane
CID 67391522
tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
CID 155642232
tert-butyl-[3,3-diethoxy-3-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
CID 173816920
tert-butyl-[3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
CID 173897715
tert-butyl-[(1S)-3,3-diethoxy-1-(thiiran-2-yl)propoxy]-diphenylsilane
CID 173897716
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol
CID 10004761
tert-butyl-[(5E)-5-(butylsulfanylmethylidene)-4-methylcyclohex-3-en-1-yl]oxy-diphenylsilane
CID 10049458

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane (CID 10077261) is tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane is C=CC[C@@H](C[C@@H](CC1=CCCCS1)OCOCC[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane?
The InChIKey is HBIPFMPEJUQTSQ-KYJUHHDHSA-N. The full InChI is InChI=1S/C34H52O3SSi2/c1-8-17-29(26-30(27-31-18-15-16-24-38-31)36-28-35-23-25-39(5,6)7)37-40(34(2,3)4,32-19-11-9-12-20-32)33-21-13-10-14-22-33/h8-14,18-22,29-30H,1,15-17,23-28H2,2-7H3/t29-,30-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane?
tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane has a molecular weight of 597.03 g/mol, XLogP of 8.40, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane is sourced from PubChem (CID 10077261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).