[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane

C18H38O2Si2 — CID 11515682

IUPAC[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=C)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-11-15-17(20-22(12-2,13-3)14-4)18(6,7)16(5)19-21(8,9)10/h11,17H,1,5,12-15H2,2-4,6-10H3/t17-/m1/s1
InChIKeyBHFODKRGBYAOPJ-QGZVFWFLSA-N
MW342.67 g/mol
LogP6.34
Rot. Bonds11

About [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane

[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane (PubChem CID 11515682) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane
PubChem CID11515682
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=C)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-11-15-17(20-22(12-2,13-3)14-4)18(6,7)16(5)19-21(8,9)10/h11,17H,1,5,12-15H2,2-4,6-10H3/t17-/m1/s1
InChIKeyBHFODKRGBYAOPJ-QGZVFWFLSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
CID 11700228
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641
(+)-4,4-Bis-(t-butyldimethylsilanyloxymethyl)-hex-5-en-2-ol
CID 129825188
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol
CID 134859213
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
CID 134940445
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
tert-butyl-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]oxy-dimethylsilane
CID 139249864
tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane
CID 102075587
Tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropyl]methoxy]-dimethylsilane
CID 10570286

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The IUPAC name of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane (CID 11515682) is [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane.
What is the SMILES notation for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The canonical SMILES for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane is C=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=C)O[Si](C)(C)C.
What is the InChIKey of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The InChIKey is BHFODKRGBYAOPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-11-15-17(20-22(12-2,13-3)14-4)18(6,7)16(5)19-21(8,9)10/h11,17H,1,5,12-15H2,2-4,6-10H3/t17-/m1/s1.
What are the key properties of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane has a molecular weight of 342.67 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane is sourced from PubChem (CID 11515682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).