tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane

C23H45IO3Si — CID 10369535

IUPACtert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane
SMILESC/C(=C\I)C[C@H](C)CCCC[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45IO3Si/c1-18(14-19(2)15-24)12-10-11-13-21-20(16-25-23(6,7)27-21)17-26-28(8,9)22(3,4)5/h15,18,20-21H,10-14,16-17H2,1-9H3/b19-15+/t18-,20-,21-/m1/s1
InChIKeyMDXDRVADSFADCV-OJJHXBFUSA-N
MW524.60 g/mol
LogP7.70
Rot. Bonds10

About tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane (PubChem CID 10369535) has the molecular formula C23H45IO3Si and a molecular weight of 524.60 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane
PubChem CID10369535
Molecular FormulaC23H45IO3Si
Molecular Weight524.60 g/mol
Exact Mass524.22
IUPAC Nametert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane
SMILESC/C(=C\I)C[C@H](C)CCCC[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45IO3Si/c1-18(14-19(2)15-24)12-10-11-13-21-20(16-25-23(6,7)27-21)17-26-28(8,9)22(3,4)5/h15,18,20-21H,10-14,16-17H2,1-9H3/b19-15+/t18-,20-,21-/m1/s1
InChIKeyMDXDRVADSFADCV-OJJHXBFUSA-N
XLogP7.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane (CID 10369535) is tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane is C/C(=C\I)C[C@H](C)CCCC[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane?
The InChIKey is MDXDRVADSFADCV-OJJHXBFUSA-N. The full InChI is InChI=1S/C23H45IO3Si/c1-18(14-19(2)15-24)12-10-11-13-21-20(16-25-23(6,7)27-21)17-26-28(8,9)22(3,4)5/h15,18,20-21H,10-14,16-17H2,1-9H3/b19-15+/t18-,20-,21-/m1/s1.
What are the key properties of tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane has a molecular weight of 524.60 g/mol, XLogP of 7.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10369535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).