(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol

C17H28O2Si — CID 102275586

IUPAC(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
SMILESC[C@H](/C=C/C[Si](C)(C)C)[C@H](O)COCc1ccccc1
InChIInChI=1S/C17H28O2Si/c1-15(9-8-12-20(2,3)4)17(18)14-19-13-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1
InChIKeyXBOAJXQMJFIJIA-PJZFAXFVSA-N
MW292.50 g/mol
LogP4.09
Rot. Bonds8

About (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol

(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol (PubChem CID 102275586) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
PubChem CID102275586
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
SMILESC[C@H](/C=C/C[Si](C)(C)C)[C@H](O)COCc1ccccc1
InChIInChI=1S/C17H28O2Si/c1-15(9-8-12-20(2,3)4)17(18)14-19-13-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1
InChIKeyXBOAJXQMJFIJIA-PJZFAXFVSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.09
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

(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(E,4S,5R)-5-hydroxy-4-methyl-6-phenylmethoxyhex-2-enoic acid
CID 10901044
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
CID 15316565
(E,2S,3R)-5-(benzenesulfinyl)-3-methyl-1-phenylmethoxypent-4-en-2-ol
CID 46217444
(E,2S,3R)-1,6-bis(phenylmethoxy)-3-propan-2-ylhex-4-en-2-ol
CID 101421224
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol?
The IUPAC name of (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol (CID 102275586) is (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol.
What is the SMILES notation for (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol?
The canonical SMILES for (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol is C[C@H](/C=C/C[Si](C)(C)C)[C@H](O)COCc1ccccc1.
What is the InChIKey of (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol?
The InChIKey is XBOAJXQMJFIJIA-PJZFAXFVSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-15(9-8-12-20(2,3)4)17(18)14-19-13-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1.
What are the key properties of (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol?
(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol has a molecular weight of 292.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol is sourced from PubChem (CID 102275586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).