tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane

C20H40OS2Si — CID 101430148

IUPACtert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane
SMILESC=CCCCC1CCSC(CCCC(C)O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C20H40OS2Si/c1-8-9-10-13-18-15-16-22-19(23-18)14-11-12-17(2)21-24(6,7)20(3,4)5/h8,17-19H,1,9-16H2,2-7H3
InChIKeyADPNCHGPEDAXMD-UHFFFAOYSA-N
MW388.76 g/mol
LogP7.49
Rot. Bonds10

About tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane

tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane (PubChem CID 101430148) has the molecular formula C20H40OS2Si and a molecular weight of 388.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane
PubChem CID101430148
Molecular FormulaC20H40OS2Si
Molecular Weight388.76 g/mol
Exact Mass388.23
IUPAC Nametert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane
SMILESC=CCCCC1CCSC(CCCC(C)O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C20H40OS2Si/c1-8-9-10-13-18-15-16-22-19(23-18)14-11-12-17(2)21-24(6,7)20(3,4)5/h8,17-19H,1,9-16H2,2-7H3
InChIKeyADPNCHGPEDAXMD-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.76
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[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-[(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-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 45379401
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
tert-butyl-dimethyl-[(2S)-1-(2-prop-2-enyl-1,3-dithian-2-yl)heptan-2-yl]oxysilane
CID 102380296

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane (CID 101430148) is tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane is C=CCCCC1CCSC(CCCC(C)O[Si](C)(C)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane?
The InChIKey is ADPNCHGPEDAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OS2Si/c1-8-9-10-13-18-15-16-22-19(23-18)14-11-12-17(2)21-24(6,7)20(3,4)5/h8,17-19H,1,9-16H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane?
tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane has a molecular weight of 388.76 g/mol, XLogP of 7.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane is sourced from PubChem (CID 101430148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).