(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol

C29H36OSi — CID 134904760

IUPAC(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
SMILESC/C=C(\C)[C@@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36OSi/c1-6-23(2)28(22-27(30)24-16-10-7-11-17-24)31(29(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h6-21,27-28,30H,22H2,1-5H3/b23-6+/t27-,28-/m1/s1
InChIKeyKDLCQHXDGKYFKY-YYSVGBMSSA-N
MW428.69 g/mol
LogP6.51
Rot. Bonds7

About (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol

(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol (PubChem CID 134904760) has the molecular formula C29H36OSi and a molecular weight of 428.69 g/mol. Its IUPAC name is (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol.

Molecular Properties

Compound Name(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
PubChem CID134904760
Molecular FormulaC29H36OSi
Molecular Weight428.69 g/mol
Exact Mass428.25
IUPAC Name(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
SMILESC/C=C(\C)[C@@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36OSi/c1-6-23(2)28(22-27(30)24-16-10-7-11-17-24)31(29(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h6-21,27-28,30H,22H2,1-5H3/b23-6+/t27-,28-/m1/s1
InChIKeyKDLCQHXDGKYFKY-YYSVGBMSSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
CID 11058768
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
[tert-butyl(diphenyl)silyl]-(2-methylphenyl)methanol
CID 164686352
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
4-methyl-1-phenylpent-4-ene-1,3-diol
CID 13461017
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen
CID 142935143

Frequently Asked Questions

What is the IUPAC name of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol?
The IUPAC name of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol (CID 134904760) is (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol.
What is the SMILES notation for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol?
The canonical SMILES for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol is C/C=C(\C)[C@@H](C[C@@H](O)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol?
The InChIKey is KDLCQHXDGKYFKY-YYSVGBMSSA-N. The full InChI is InChI=1S/C29H36OSi/c1-6-23(2)28(22-27(30)24-16-10-7-11-17-24)31(29(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h6-21,27-28,30H,22H2,1-5H3/b23-6+/t27-,28-/m1/s1.
What are the key properties of (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol?
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol has a molecular weight of 428.69 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol is sourced from PubChem (CID 134904760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).