(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol

C22H30O2Si — CID 135030069

IUPAC(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
SMILESC/C(=C\CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(15-17-23)16-18-24-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,23H,16-18H2,1-4H3/b19-15+
InChIKeyDNCXFAZFHACTRS-XDJHFCHBSA-N
MW354.57 g/mol
LogP3.89
Rot. Bonds7

About (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol (PubChem CID 135030069) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
PubChem CID135030069
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
SMILESC/C(=C\CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(15-17-23)16-18-24-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,23H,16-18H2,1-4H3/b19-15+
InChIKeyDNCXFAZFHACTRS-XDJHFCHBSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.89
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

(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
CID 163904820
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane
CID 124629299
1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
CID 67767772
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol?
The IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol (CID 135030069) is (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol?
The canonical SMILES for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol is C/C(=C\CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol?
The InChIKey is DNCXFAZFHACTRS-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-19(15-17-23)16-18-24-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,23H,16-18H2,1-4H3/b19-15+.
What are the key properties of (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol?
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol has a molecular weight of 354.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol is sourced from PubChem (CID 135030069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).