tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane

C17H34OS2Si — CID 45379401

IUPACtert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@H](CC1(CC)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OS2Si/c1-8-11-15(18-21(6,7)16(3,4)5)14-17(9-2)19-12-10-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m1/s1
InChIKeySLKZTWIHBAYUMR-OAHLLOKOSA-N
MW346.68 g/mol
LogP6.32
Rot. Bonds7

About tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 45379401) has the molecular formula C17H34OS2Si and a molecular weight of 346.68 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID45379401
Molecular FormulaC17H34OS2Si
Molecular Weight346.68 g/mol
Exact Mass346.18
IUPAC Nametert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@H](CC1(CC)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OS2Si/c1-8-11-15(18-21(6,7)16(3,4)5)14-17(9-2)19-12-10-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m1/s1
InChIKeySLKZTWIHBAYUMR-OAHLLOKOSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane
CID 14409370
Tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane
CID 101446445
Tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane
CID 139252757
(s)-t-Butyldimethyl(4-(2-vinyl-1,3-dithian-2-yl)butan-2-yloxy)silane
CID 145997533
trimethyl-[(1R,2R)-1-(2-methyl-1,3-dithian-2-yl)-2-(2-prop-2-enyl-1,3-dithian-2-yl)propoxy]silane
CID 168305209
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
CID 11262081
tert-butyl-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-enoxy]-dimethylsilane
CID 11351379
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
CID 11452468
tert-butyl-[(4R,6R)-7-(1,3-dithian-2-yl)-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
CID 44208491
tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)-3-(2-prop-2-enyl-1,3-dithian-2-yl)propan-2-yl]oxysilane
CID 101388825

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane (CID 45379401) is tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane is C=CC[C@H](CC1(CC)SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is SLKZTWIHBAYUMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34OS2Si/c1-8-11-15(18-21(6,7)16(3,4)5)14-17(9-2)19-12-10-13-20-17/h8,15H,1,9-14H2,2-7H3/t15-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 346.68 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 45379401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).