tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane

C33H50O2Si — CID 134969241

IUPACtert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@H](C)[C@@H](C(C)/C=C/C(C)C)O1
InChIInChI=1S/C33H50O2Si/c1-9-28(31-23-22-27(5)32(35-31)26(4)21-20-25(2)3)24-34-36(33(6,7)8,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-21,25-28,31-32H,9,22-24H2,1-8H3/b21-20+/t26?,27-,28-,31+,32+/m0/s1
InChIKeyDJSUYLCDIABHJD-WRHGXILKSA-N
MW506.85 g/mol
LogP7.62
Rot. Bonds10

About tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane

tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane (PubChem CID 134969241) has the molecular formula C33H50O2Si and a molecular weight of 506.85 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane
PubChem CID134969241
Molecular FormulaC33H50O2Si
Molecular Weight506.85 g/mol
Exact Mass506.36
IUPAC Nametert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@H](C)[C@@H](C(C)/C=C/C(C)C)O1
InChIInChI=1S/C33H50O2Si/c1-9-28(31-23-22-27(5)32(35-31)26(4)21-20-25(2)3)24-34-36(33(6,7)8,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-21,25-28,31-32H,9,22-24H2,1-8H3/b21-20+/t26?,27-,28-,31+,32+/m0/s1
InChIKeyDJSUYLCDIABHJD-WRHGXILKSA-N
XLogP7.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
CID 15249300
tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
CID 11476513
tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane
CID 154066060
Silane, diphenyl(3-cyclohexenylmethoxy)hexyloxy-
CID 91700505
Silane, diphenyl(3-cyclohexenylmethoxy))heptyloxy-
CID 91700506
Silane, diphenyl(3-cyclohexenylmethoxy))nonyloxy-
CID 91700507
Silane, diphenyl(3-cyclohexenylmethoxy)decyloxy-
CID 91700508
Silane, diphenyl(3-cyclohexenylmethoxy))undecyloxy-
CID 91700509
Silane, diphenyl(3-cyclohexenylmethoxy))tridecyloxy-
CID 91700510
Silane, diphenyl(3-cyclohexenylmethoxy))tetradecyloxy-
CID 91700511
Silane, diphenylcyclohexylmethoxyethoxy-
CID 91724609

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane (CID 134969241) is tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane is CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@H](C)[C@@H](C(C)/C=C/C(C)C)O1.
What is the InChIKey of tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane?
The InChIKey is DJSUYLCDIABHJD-WRHGXILKSA-N. The full InChI is InChI=1S/C33H50O2Si/c1-9-28(31-23-22-27(5)32(35-31)26(4)21-20-25(2)3)24-34-36(33(6,7)8,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-21,25-28,31-32H,9,22-24H2,1-8H3/b21-20+/t26?,27-,28-,31+,32+/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane?
tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane has a molecular weight of 506.85 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane is sourced from PubChem (CID 134969241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).