(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol

C20H34O3Si — CID 15396344

IUPAC(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccccc1)[C@H](C)/C=C/CO
InChIInChI=1S/C20H34O3Si/c1-5-24(6-2,7-3)23-20(18(4)12-11-15-21)17-22-16-19-13-9-8-10-14-19/h8-14,18,20-21H,5-7,15-17H2,1-4H3/b12-11+/t18-,20-/m1/s1
InChIKeyOGHNVIBSCPZLAG-KALAYHLKSA-N
MW350.58 g/mol
LogP4.78
Rot. Bonds12

About (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol

(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol (PubChem CID 15396344) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
PubChem CID15396344
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccccc1)[C@H](C)/C=C/CO
InChIInChI=1S/C20H34O3Si/c1-5-24(6-2,7-3)23-20(18(4)12-11-15-21)17-22-16-19-13-9-8-10-14-19/h8-14,18,20-21H,5-7,15-17H2,1-4H3/b12-11+/t18-,20-/m1/s1
InChIKeyOGHNVIBSCPZLAG-KALAYHLKSA-N
XLogP4.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-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

(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(2R,3R)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentan-1-ol
CID 71734812
(E,4S,5R,6S)-2,4,6-trimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 15396349
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
methyl (E,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-phenylmethoxyhept-3-enoate
CID 134881146

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol?
The IUPAC name of (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol (CID 15396344) is (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol.
What is the SMILES notation for (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol?
The canonical SMILES for (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol is CC[Si](CC)(CC)O[C@H](COCc1ccccc1)[C@H](C)/C=C/CO.
What is the InChIKey of (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol?
The InChIKey is OGHNVIBSCPZLAG-KALAYHLKSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-5-24(6-2,7-3)23-20(18(4)12-11-15-21)17-22-16-19-13-9-8-10-14-19/h8-14,18,20-21H,5-7,15-17H2,1-4H3/b12-11+/t18-,20-/m1/s1.
What are the key properties of (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol?
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol has a molecular weight of 350.58 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol is sourced from PubChem (CID 15396344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).