(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol

C13H28O2Si — CID 19737479

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
SMILESCC(C/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7+
InChIKeyVUHJLRYFMFGEHJ-BQYQJAHWSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds6

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol

(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol (PubChem CID 19737479) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
PubChem CID19737479
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
SMILESCC(C/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7+
InChIKeyVUHJLRYFMFGEHJ-BQYQJAHWSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
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

(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,4E,6E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylnona-4,6-dien-1-ol
CID 11738487
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(E,5S,6S,8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4-methoxyphenyl)methoxy]-8-methylnon-2-en-1-ol
CID 53309488
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
CID 67102119
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
CID 159080452
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol (CID 19737479) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol is CC(C/C=C/CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The InChIKey is VUHJLRYFMFGEHJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol is sourced from PubChem (CID 19737479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).