[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane

C23H46O4Si2 — CID 15948201

IUPAC[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane
SMILESC=CC(=C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](CC)(CC)CC
InChIInChI=1S/C23H46O4Si2/c1-11-19(8)21(27-29(15-5,16-6)17-7)22-20(25-23(9,10)26-22)18-24-28(12-2,13-3)14-4/h11,20-22H,1,8,12-18H2,2-7,9-10H3/t20-,21-,22-/m1/s1
InChIKeyXTWAMQVVMHICQQ-YPAWHYETSA-N
MW442.79 g/mol
LogP6.66
Rot. Bonds14

About [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane

[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane (PubChem CID 15948201) has the molecular formula C23H46O4Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane
PubChem CID15948201
Molecular FormulaC23H46O4Si2
Molecular Weight442.79 g/mol
Exact Mass442.29
IUPAC Name[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane
SMILESC=CC(=C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](CC)(CC)CC
InChIInChI=1S/C23H46O4Si2/c1-11-19(8)21(27-29(15-5,16-6)17-7)22-20(25-23(9,10)26-22)18-24-28(12-2,13-3)14-4/h11,20-22H,1,8,12-18H2,2-7,9-10H3/t20-,21-,22-/m1/s1
InChIKeyXTWAMQVVMHICQQ-YPAWHYETSA-N
XLogP6.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane?
The IUPAC name of [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane (CID 15948201) is [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane is C=CC(=C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](CC)(CC)CC.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane?
The InChIKey is XTWAMQVVMHICQQ-YPAWHYETSA-N. The full InChI is InChI=1S/C23H46O4Si2/c1-11-19(8)21(27-29(15-5,16-6)17-7)22-20(25-23(9,10)26-22)18-24-28(12-2,13-3)14-4/h11,20-22H,1,8,12-18H2,2-7,9-10H3/t20-,21-,22-/m1/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane?
[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane has a molecular weight of 442.79 g/mol, XLogP of 6.66, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane is sourced from PubChem (CID 15948201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).