tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane

C20H46O2Si — CID 159988757

IUPACtert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane
SMILESC.C.C=CCCCCO.C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi.C6H12O.2CH4/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7;;/h7H,1,8-11H2,2-6H3;2,7H,1,3-6H2;2*1H4
InChIKeyOGRBUKVMOAZDKS-UHFFFAOYSA-N
MW346.67 g/mol
LogP6.97
Rot. Bonds10

About tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane

tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane (PubChem CID 159988757) has the molecular formula C20H46O2Si and a molecular weight of 346.67 g/mol. Its IUPAC name is tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane.

Molecular Properties

Compound Nametert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane
PubChem CID159988757
Molecular FormulaC20H46O2Si
Molecular Weight346.67 g/mol
Exact Mass346.33
IUPAC Nametert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane
SMILESC.C.C=CCCCCO.C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi.C6H12O.2CH4/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7;;/h7H,1,8-11H2,2-6H3;2,7H,1,3-6H2;2*1H4
InChIKeyOGRBUKVMOAZDKS-UHFFFAOYSA-N
XLogP6.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.67
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 71534218
6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-ol
CID 10823381
tert-butyl-dimethyl-[(E)-6-tributylstannylhex-5-enoxy]silane
CID 10815349
8-[Tert-butyl(dimethyl)silyl]oxyocta-5,6-dien-1-ol
CID 10988910
(Z)-5-tributylstannyl-6-trimethylsilylhex-5-en-1-ol
CID 11190410
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271
(Z)-6-trimethylsilylhex-5-en-1-ol
CID 11636893
6-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857471
(4S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857472

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane?
The IUPAC name of tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane (CID 159988757) is tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane.
What is the SMILES notation for tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane?
The canonical SMILES for tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane is C.C.C=CCCCCO.C=CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane?
The InChIKey is OGRBUKVMOAZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi.C6H12O.2CH4/c1-7-8-9-10-11-13-14(5,6)12(2,3)4;1-2-3-4-5-6-7;;/h7H,1,8-11H2,2-6H3;2,7H,1,3-6H2;2*1H4.
What are the key properties of tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane?
tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane has a molecular weight of 346.67 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hex-5-enoxy-dimethylsilane;hex-5-en-1-ol;methane is sourced from PubChem (CID 159988757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).