(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol

C14H30O2Si — CID 135037292

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol
SMILESC/C=C(\C)C(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,13,15H,9-11H2,1-7H3/b12-8+
InChIKeyBQYSECFGDZFFCJ-XYOKQWHBSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds6

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol

(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol (PubChem CID 135037292) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol
PubChem CID135037292
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol
SMILESC/C=C(\C)C(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,13,15H,9-11H2,1-7H3/b12-8+
InChIKeyBQYSECFGDZFFCJ-XYOKQWHBSA-N
XLogP4.12
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 ≤ 54.12
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

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(S,Z)-2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 11119109
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol (CID 135037292) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol is C/C=C(\C)C(O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol?
The InChIKey is BQYSECFGDZFFCJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,13,15H,9-11H2,1-7H3/b12-8+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol is sourced from PubChem (CID 135037292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).