(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol

C22H36O4Si — CID 25257173

IUPAC(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
SMILESC=C[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCOCc1ccc(OC)cc1
InChIInChI=1S/C22H36O4Si/c1-8-18-19(21(20(18)23)26-27(6,7)22(2,3)4)13-14-25-15-16-9-11-17(24-5)12-10-16/h8-12,18-21,23H,1,13-15H2,2-7H3/t18-,19-,20-,21-/m1/s1
InChIKeyKPTMDOAEBNUTCQ-XRXFAXGQSA-N
MW392.61 g/mol
LogP4.79
Rot. Bonds9

About (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol

(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol (PubChem CID 25257173) has the molecular formula C22H36O4Si and a molecular weight of 392.61 g/mol. Its IUPAC name is (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
PubChem CID25257173
Molecular FormulaC22H36O4Si
Molecular Weight392.61 g/mol
Exact Mass392.24
IUPAC Name(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
SMILESC=C[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCOCc1ccc(OC)cc1
InChIInChI=1S/C22H36O4Si/c1-8-18-19(21(20(18)23)26-27(6,7)22(2,3)4)13-14-25-15-16-9-11-17(24-5)12-10-16/h8-12,18-21,23H,1,13-15H2,2-7H3/t18-,19-,20-,21-/m1/s1
InChIKeyKPTMDOAEBNUTCQ-XRXFAXGQSA-N
XLogP4.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-[(4-methoxyphenyl)methoxymethyl]-4-methylcyclopentan-1-ol
CID 25227644
tert-butyl-[(1R)-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]-3-methylbut-2-enoxy]-dimethylsilane
CID 52951766
[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
CID 132564594
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-[(4-methoxyphenyl)methoxy]oxan-2-one
CID 101429250
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
[(1S,2Z,4R,5R,6R,7S,8R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7,8-dihydroxy-6-[(4-methoxyphenyl)methoxy]cyclooct-2-en-1-yl] acetate
CID 102390657
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
[(E,3R)-7-bromo-1-[(4-methoxyphenyl)methoxy]-5-methylhept-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 59051507

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol?
The IUPAC name of (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol (CID 25257173) is (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol.
What is the SMILES notation for (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol?
The canonical SMILES for (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol is C=C[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCOCc1ccc(OC)cc1.
What is the InChIKey of (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol?
The InChIKey is KPTMDOAEBNUTCQ-XRXFAXGQSA-N. The full InChI is InChI=1S/C22H36O4Si/c1-8-18-19(21(20(18)23)26-27(6,7)22(2,3)4)13-14-25-15-16-9-11-17(24-5)12-10-16/h8-12,18-21,23H,1,13-15H2,2-7H3/t18-,19-,20-,21-/m1/s1.
What are the key properties of (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol?
(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol has a molecular weight of 392.61 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 25257173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).