(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol

C19H32O2Si — CID 122388230

IUPAC(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
SMILESC=CC[C@@H](C[C@H](O)Cc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C19H32O2Si/c1-5-12-19(21-22(6-2,7-3)8-4)16-18(20)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-20H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m1/s1
InChIKeyFKSZPRCCRNYCGZ-MOPGFXCFSA-N
MW320.55 g/mol
LogP4.95
Rot. Bonds11

About (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol

(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol (PubChem CID 122388230) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol.

Molecular Properties

Compound Name(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
PubChem CID122388230
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
SMILESC=CC[C@@H](C[C@H](O)Cc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C19H32O2Si/c1-5-12-19(21-22(6-2,7-3)8-4)16-18(20)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-20H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m1/s1
InChIKeyFKSZPRCCRNYCGZ-MOPGFXCFSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.95
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

(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(2S,4R)-1-phenyloct-7-ene-2,4-diol
CID 102019922
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(3S,5R,7S,9S,11S)-9-[tert-butyl(dimethyl)silyl]oxy-1,13-bis(phenylmethoxy)-3,11-bis(triethylsilyloxy)tridecane-5,7-diol
CID 102445359
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
CID 100992819
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
CID 71681283
(3R)-3-hydroxy-4-phenylbutanal
CID 13425167
1,6-diphenylhexane-2,5-diol
CID 15072586

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol?
The IUPAC name of (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol (CID 122388230) is (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol.
What is the SMILES notation for (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol?
The canonical SMILES for (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol is C=CC[C@@H](C[C@H](O)Cc1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol?
The InChIKey is FKSZPRCCRNYCGZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-5-12-19(21-22(6-2,7-3)8-4)16-18(20)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-20H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m1/s1.
What are the key properties of (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol?
(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol has a molecular weight of 320.55 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol is sourced from PubChem (CID 122388230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).