(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol

C18H30O2Si — CID 66573505

IUPAC(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
SMILESC[C@@H](/C=C/C[C@@H](O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(20-21(5,6)18(2,3)4)11-10-14-17(19)16-12-8-7-9-13-16/h7-13,15,17,19H,14H2,1-6H3/b11-10+/t15-,17+/m0/s1
InChIKeyHCEQOIGZUJJQAU-ALZIZJOTSA-N
MW306.52 g/mol
LogP5.08
Rot. Bonds6

About (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol

(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol (PubChem CID 66573505) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol.

Molecular Properties

Compound Name(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
PubChem CID66573505
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
SMILESC[C@@H](/C=C/C[C@@H](O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(20-21(5,6)18(2,3)4)11-10-14-17(19)16-12-8-7-9-13-16/h7-13,15,17,19H,14H2,1-6H3/b11-10+/t15-,17+/m0/s1
InChIKeyHCEQOIGZUJJQAU-ALZIZJOTSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.08
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'}

Analyze (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
methyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyl-8-phenyloct-2-enoate
CID 11101270
[(Z)-4-hydroxy-4-phenylbut-1-enyl] 2,2-dimethylpropanoate
CID 101384599
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
(1S,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-chloro-1-phenylhex-5-en-3-ol
CID 134851798
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327

Frequently Asked Questions

What is the IUPAC name of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?
The IUPAC name of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol (CID 66573505) is (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol.
What is the SMILES notation for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?
The canonical SMILES for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol is C[C@@H](/C=C/C[C@@H](O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?
The InChIKey is HCEQOIGZUJJQAU-ALZIZJOTSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-15(20-21(5,6)18(2,3)4)11-10-14-17(19)16-12-8-7-9-13-16/h7-13,15,17,19H,14H2,1-6H3/b11-10+/t15-,17+/m0/s1.
What are the key properties of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol has a molecular weight of 306.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol is sourced from PubChem (CID 66573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).