(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol

C29H35ClO2Si — CID 101480551

IUPAC(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol
SMILESCC/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C29H35ClO2Si/c1-5-23(28(31)24-18-20-25(30)21-19-24)13-12-22-32-33(29(2,3)4,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,13-21,28,31H,5,12,22H2,1-4H3/b23-13-/t28-/m1/s1
InChIKeyHQMFHWCRPZLSDZ-QMSKISIRSA-N
MW479.14 g/mol
LogP6.68
Rot. Bonds9

About (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol

(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol (PubChem CID 101480551) has the molecular formula C29H35ClO2Si and a molecular weight of 479.14 g/mol. Its IUPAC name is (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol.

Molecular Properties

Compound Name(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol
PubChem CID101480551
Molecular FormulaC29H35ClO2Si
Molecular Weight479.14 g/mol
Exact Mass478.21
IUPAC Name(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol
SMILESCC/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C29H35ClO2Si/c1-5-23(28(31)24-18-20-25(30)21-19-24)13-12-22-32-33(29(2,3)4,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,13-21,28,31H,5,12,22H2,1-4H3/b23-13-/t28-/m1/s1
InChIKeyHQMFHWCRPZLSDZ-QMSKISIRSA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.14
LogP ≤ 56.68
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

tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-[hydroxy(phenyl)methyl]hex-4-en-3-one
CID 15942434
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(E,1R,4R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-1-phenylhept-2-ene-1,5-diol
CID 71490044
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054

Frequently Asked Questions

What is the IUPAC name of (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol?
The IUPAC name of (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol (CID 101480551) is (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol.
What is the SMILES notation for (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol?
The canonical SMILES for (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol is CC/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol?
The InChIKey is HQMFHWCRPZLSDZ-QMSKISIRSA-N. The full InChI is InChI=1S/C29H35ClO2Si/c1-5-23(28(31)24-18-20-25(30)21-19-24)13-12-22-32-33(29(2,3)4,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,13-21,28,31H,5,12,22H2,1-4H3/b23-13-/t28-/m1/s1.
What are the key properties of (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol?
(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol has a molecular weight of 479.14 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol is sourced from PubChem (CID 101480551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).