(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol

C18H32O3Si — CID 11631217

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
SMILESCOc1ccc([C@H](CCCCO)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-18(2,3)22(5,6)21-17(9-7-8-14-19)15-10-12-16(20-4)13-11-15/h10-13,17,19H,7-9,14H2,1-6H3/t17-/m0/s1
InChIKeyQOOMBKULSVLODA-KRWDZBQOSA-N
MW324.54 g/mol
LogP4.92
Rot. Bonds8

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol (PubChem CID 11631217) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
PubChem CID11631217
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
SMILESCOc1ccc([C@H](CCCCO)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-18(2,3)22(5,6)21-17(9-7-8-14-19)15-10-12-16(20-4)13-11-15/h10-13,17,19H,7-9,14H2,1-6H3/t17-/m0/s1
InChIKeyQOOMBKULSVLODA-KRWDZBQOSA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]phenol
CID 101141021
6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
CID 11415303
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
2-[4-[(E)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[4-(2-hydroxyethyl)phenyl]oct-4-enyl]phenyl]ethanol
CID 101142293
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
CID 11703319
2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
CID 91743544
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
CID 11033169
methyl (E)-8-[tert-butyl(dimethyl)silyl]oxy-8-naphthalen-2-yloct-2-enoate
CID 11090934
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
CID 101376484
(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol (CID 11631217) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol is COc1ccc([C@H](CCCCO)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol?
The InChIKey is QOOMBKULSVLODA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-18(2,3)22(5,6)21-17(9-7-8-14-19)15-10-12-16(20-4)13-11-15/h10-13,17,19H,7-9,14H2,1-6H3/t17-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol has a molecular weight of 324.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 11631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).