(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol

C21H38O2Si2 — CID 134950604

IUPAC(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\CO)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H38O2Si2/c1-17(18(2)23-25(8,9)21(3,4)5)15-20(16-22)24(6,7)19-13-11-10-12-14-19/h10-15,17-18,22H,16H2,1-9H3/b20-15+/t17-,18-/m0/s1
InChIKeyVVNYABPPWTUBFL-IUXPWNOESA-N
MW378.71 g/mol
LogP5.11
Rot. Bonds7

About (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol (PubChem CID 134950604) has the molecular formula C21H38O2Si2 and a molecular weight of 378.71 g/mol. Its IUPAC name is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
PubChem CID134950604
Molecular FormulaC21H38O2Si2
Molecular Weight378.71 g/mol
Exact Mass378.24
IUPAC Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\CO)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H38O2Si2/c1-17(18(2)23-25(8,9)21(3,4)5)15-20(16-22)24(6,7)19-13-11-10-12-14-19/h10-15,17-18,22H,16H2,1-9H3/b20-15+/t17-,18-/m0/s1
InChIKeyVVNYABPPWTUBFL-IUXPWNOESA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 55.11
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

(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one
CID 15174206
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
CID 69196947
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxyhex-2-ynyl] acetate
CID 11168444
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290

Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol?
The IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol (CID 134950604) is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol.
What is the SMILES notation for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol?
The canonical SMILES for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\CO)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol?
The InChIKey is VVNYABPPWTUBFL-IUXPWNOESA-N. The full InChI is InChI=1S/C21H38O2Si2/c1-17(18(2)23-25(8,9)21(3,4)5)15-20(16-22)24(6,7)19-13-11-10-12-14-19/h10-15,17-18,22H,16H2,1-9H3/b20-15+/t17-,18-/m0/s1.
What are the key properties of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol?
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol has a molecular weight of 378.71 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol is sourced from PubChem (CID 134950604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).