(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol

C20H34O4Si — CID 25257485

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
SMILESCOc1ccc(COC/C(C)=C/[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H34O4Si/c1-16(12-18(21)15-24-25(6,7)20(2,3)4)13-23-14-17-8-10-19(22-5)11-9-17/h8-12,18,21H,13-15H2,1-7H3/b16-12+/t18-/m0/s1
InChIKeyOOKHGFOLOSZIKU-QIPRVMPFSA-N
MW366.57 g/mol
LogP4.54
Rot. Bonds9

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol (PubChem CID 25257485) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
PubChem CID25257485
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
SMILESCOc1ccc(COC/C(C)=C/[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H34O4Si/c1-16(12-18(21)15-24-25(6,7)20(2,3)4)13-23-14-17-8-10-19(22-5)11-9-17/h8-12,18,21H,13-15H2,1-7H3/b16-12+/t18-/m0/s1
InChIKeyOOKHGFOLOSZIKU-QIPRVMPFSA-N
XLogP4.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-4-en-3-ol
CID 134841574
(E,2S,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-4-en-3-ol
CID 14526006
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2-methylpent-2-enoic acid
CID 11349523
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
(E,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hept-2-ene-1,6-diol
CID 11761109
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hex-2-enoate
CID 11234824
(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
CID 11828294
(3R,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-one
CID 52920734
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate
CID 16732375
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767
tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane
CID 11189745

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol (CID 25257485) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol is COc1ccc(COC/C(C)=C/[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol?
The InChIKey is OOKHGFOLOSZIKU-QIPRVMPFSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-16(12-18(21)15-24-25(6,7)20(2,3)4)13-23-14-17-8-10-19(22-5)11-9-17/h8-12,18,21H,13-15H2,1-7H3/b16-12+/t18-/m0/s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol has a molecular weight of 366.57 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol is sourced from PubChem (CID 25257485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).