tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane

C18H40O2Si2 — CID 134940445

IUPACtert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-12-13-16(20-22(10,11)18(5,6)7)14-15-19-21(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3/t16-/m0/s1
InChIKeyULXUZWLOTALPDX-INIZCTEOSA-N
MW344.69 g/mol
LogP6.36
Rot. Bonds8

About tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane

tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane (PubChem CID 134940445) has the molecular formula C18H40O2Si2 and a molecular weight of 344.69 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
PubChem CID134940445
Molecular FormulaC18H40O2Si2
Molecular Weight344.69 g/mol
Exact Mass344.26
IUPAC Nametert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-12-13-16(20-22(10,11)18(5,6)7)14-15-19-21(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3/t16-/m0/s1
InChIKeyULXUZWLOTALPDX-INIZCTEOSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.69
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
(S)-1,3-Di-[(tert-butyldimethylsilyloxy)]-4-methyl-4-pentene
CID 11336893
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
4-(Triisopropylsiloxy)-1,6-heptadiene
CID 11437113
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
tert-butyl-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enoxy]-dimethylsilane
CID 173654839
1,3-bis(Hex-5-en-1-yloxy)-1,1,3,3-tetramethyldisiloxane
CID 91721101
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane (CID 134940445) is tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane is C=CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane?
The InChIKey is ULXUZWLOTALPDX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H40O2Si2/c1-12-13-16(20-22(10,11)18(5,6)7)14-15-19-21(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3/t16-/m0/s1.
What are the key properties of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane?
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane has a molecular weight of 344.69 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 134940445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).