(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol

C18H30O2Si — CID 10804618

IUPAC(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol
SMILESCC[C@H](O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H30O2Si/c1-5-17(19)18(20-21(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16/h9-15,17-19H,5-8H2,1-4H3/b15-14+/t17-,18+/m0/s1
InChIKeyAXOXCFBWPNIANW-KRWOKUGFSA-N
MW306.52 g/mol
LogP4.86
Rot. Bonds9

About (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol

(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol (PubChem CID 10804618) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol
PubChem CID10804618
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol
SMILESCC[C@H](O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H30O2Si/c1-5-17(19)18(20-21(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16/h9-15,17-19H,5-8H2,1-4H3/b15-14+/t17-,18+/m0/s1
InChIKeyAXOXCFBWPNIANW-KRWOKUGFSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal
CID 11683351
3-methoxypent-1-enylbenzene
CID 71364960
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane
CID 102075272

Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol?
The IUPAC name of (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol (CID 10804618) is (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol.
What is the SMILES notation for (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol?
The canonical SMILES for (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol is CC[C@H](O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol?
The InChIKey is AXOXCFBWPNIANW-KRWOKUGFSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-5-17(19)18(20-21(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16/h9-15,17-19H,5-8H2,1-4H3/b15-14+/t17-,18+/m0/s1.
What are the key properties of (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol?
(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol has a molecular weight of 306.52 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol is sourced from PubChem (CID 10804618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).