tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane

C27H52O4Si2 — CID 11113798

IUPACtert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](/C(C)=C/CCO[Si](C)(C)C(C)(C)C)[C@@]2(CC1)COC(C)(C)O2
InChIInChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)30-23-17-18-27(21-28-26(8,9)31-27)24(20-23)22(4)16-15-19-29-32(10,11)25(5,6)7/h16,20,24H,12-15,17-19,21H2,1-11H3/b22-16+/t24-,27-/m1/s1
InChIKeyAPMZUKGKAZLCRM-XHECFTIZSA-N
MW496.88 g/mol
LogP8.18
Rot. Bonds10

About tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane

tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane (PubChem CID 11113798) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane
PubChem CID11113798
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Nametert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](/C(C)=C/CCO[Si](C)(C)C(C)(C)C)[C@@]2(CC1)COC(C)(C)O2
InChIInChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)30-23-17-18-27(21-28-26(8,9)31-27)24(20-23)22(4)16-15-19-29-32(10,11)25(5,6)7/h16,20,24H,12-15,17-19,21H2,1-11H3/b22-16+/t24-,27-/m1/s1
InChIKeyAPMZUKGKAZLCRM-XHECFTIZSA-N
XLogP8.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 58.18
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane
CID 10806078

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane (CID 11113798) is tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane is CC[Si](CC)(CC)OC1=C[C@H](/C(C)=C/CCO[Si](C)(C)C(C)(C)C)[C@@]2(CC1)COC(C)(C)O2.
What is the InChIKey of tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane?
The InChIKey is APMZUKGKAZLCRM-XHECFTIZSA-N. The full InChI is InChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)30-23-17-18-27(21-28-26(8,9)31-27)24(20-23)22(4)16-15-19-29-32(10,11)25(5,6)7/h16,20,24H,12-15,17-19,21H2,1-11H3/b22-16+/t24-,27-/m1/s1.
What are the key properties of tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane has a molecular weight of 496.88 g/mol, XLogP of 8.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 11113798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).