tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane

C19H38O2S2Si — CID 10992807

IUPACtert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane
SMILESCCCCC[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC12SCCCS2
InChIInChI=1S/C19H38O2S2Si/c1-7-8-9-11-17-19(22-12-10-13-23-19)14-16(21-17)15-20-24(5,6)18(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyROQPWUXHKFPHJW-SJORKVTESA-N
MW390.73 g/mol
LogP6.31
Rot. Bonds7

About tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane (PubChem CID 10992807) has the molecular formula C19H38O2S2Si and a molecular weight of 390.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane
PubChem CID10992807
Molecular FormulaC19H38O2S2Si
Molecular Weight390.73 g/mol
Exact Mass390.21
IUPAC Nametert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane
SMILESCCCCC[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC12SCCCS2
InChIInChI=1S/C19H38O2S2Si/c1-7-8-9-11-17-19(22-12-10-13-23-19)14-16(21-17)15-20-24(5,6)18(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyROQPWUXHKFPHJW-SJORKVTESA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 56.31
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane (CID 10992807) is tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane is CCCCC[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC12SCCCS2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane?
The InChIKey is ROQPWUXHKFPHJW-SJORKVTESA-N. The full InChI is InChI=1S/C19H38O2S2Si/c1-7-8-9-11-17-19(22-12-10-13-23-19)14-16(21-17)15-20-24(5,6)18(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane has a molecular weight of 390.73 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,3R)-1-pentyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-yl]methoxy]silane is sourced from PubChem (CID 10992807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).