1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol

C14H30O2Si — CID 22121314

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)(C)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-14(5,6)12(15)10-11-16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3
InChIKeyNERDIUMEHSWCKX-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.97
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol

1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol (PubChem CID 22121314) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol
PubChem CID22121314
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)(C)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-14(5,6)12(15)10-11-16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3
InChIKeyNERDIUMEHSWCKX-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(3R,4R,6R)-6-(tert-Butyldimethylsilyloxy)-3-methylhept-1-en-4-ol
CID 53329007
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol (CID 22121314) is 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol is C=CC(C)(C)C(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol?
The InChIKey is NERDIUMEHSWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-14(5,6)12(15)10-11-16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol has a molecular weight of 258.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 22121314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).