tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane

C29H58O4Si2 — CID 71818778

IUPACtert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C29H58O4Si2/c1-27(2,3)34(9,10)30-23-19-15-13-17-21-25-26(33-29(7,8)32-25)22-18-14-16-20-24-31-35(11,12)28(4,5)6/h13-16,25-26H,17-24H2,1-12H3/b15-13+,16-14+/t25-,26-/m0/s1
InChIKeyLXUABADXDZZOBQ-FCMKZANGSA-N
MW526.95 g/mol
LogP9.00
Rot. Bonds14

About tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane

tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane (PubChem CID 71818778) has the molecular formula C29H58O4Si2 and a molecular weight of 526.95 g/mol. Its IUPAC name is tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
PubChem CID71818778
Molecular FormulaC29H58O4Si2
Molecular Weight526.95 g/mol
Exact Mass526.39
IUPAC Nametert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C29H58O4Si2/c1-27(2,3)34(9,10)30-23-19-15-13-17-21-25-26(33-29(7,8)32-25)22-18-14-16-20-24-31-35(11,12)28(4,5)6/h13-16,25-26H,17-24H2,1-12H3/b15-13+,16-14+/t25-,26-/m0/s1
InChIKeyLXUABADXDZZOBQ-FCMKZANGSA-N
XLogP9.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.95
LogP ≤ 59.00
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane (CID 71818778) is tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane is CC1(C)O[C@@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H](CC/C=C/CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The InChIKey is LXUABADXDZZOBQ-FCMKZANGSA-N. The full InChI is InChI=1S/C29H58O4Si2/c1-27(2,3)34(9,10)30-23-19-15-13-17-21-25-26(33-29(7,8)32-25)22-18-14-16-20-24-31-35(11,12)28(4,5)6/h13-16,25-26H,17-24H2,1-12H3/b15-13+,16-14+/t25-,26-/m0/s1.
What are the key properties of tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane has a molecular weight of 526.95 g/mol, XLogP of 9.00, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-[(4S,5S)-5-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane is sourced from PubChem (CID 71818778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).