(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol

C43H64O8Si — CID 51042320

IUPAC(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol
SMILESC=C(C[C@@H](O)C[C@H](COCc1ccccc1)OCc1ccc(OC)cc1)C[C@H](C[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccc(OC)cc1)OC
InChIInChI=1S/C43H64O8Si/c1-33(25-37(44)27-42(32-48-29-34-13-11-10-12-14-34)50-31-36-17-21-39(46-6)22-18-36)26-41(47-7)28-40(23-24-51-52(8,9)43(2,3)4)49-30-35-15-19-38(45-5)20-16-35/h10-22,37,40-42,44H,1,23-32H2,2-9H3/t37-,40-,41-,42-/m1/s1
InChIKeyGVGYDIOAWZDRPM-MSIQMXJESA-N
MW737.06 g/mol
LogP9.30
Rot. Bonds25

About (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol

(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol (PubChem CID 51042320) has the molecular formula C43H64O8Si and a molecular weight of 737.06 g/mol. Its IUPAC name is (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol.

Molecular Properties

Compound Name(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol
PubChem CID51042320
Molecular FormulaC43H64O8Si
Molecular Weight737.06 g/mol
Exact Mass736.44
IUPAC Name(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol
SMILESC=C(C[C@@H](O)C[C@H](COCc1ccccc1)OCc1ccc(OC)cc1)C[C@H](C[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccc(OC)cc1)OC
InChIInChI=1S/C43H64O8Si/c1-33(25-37(44)27-42(32-48-29-34-13-11-10-12-14-34)50-31-36-17-21-39(46-6)22-18-36)26-41(47-7)28-40(23-24-51-52(8,9)43(2,3)4)49-30-35-15-19-38(45-5)20-16-35/h10-22,37,40-42,44H,1,23-32H2,2-9H3/t37-,40-,41-,42-/m1/s1
InChIKeyGVGYDIOAWZDRPM-MSIQMXJESA-N
XLogP9.30
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.06
LogP ≤ 59.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688
(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one
CID 11318925
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
methyl (E)-3-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]oxyprop-2-enoate
CID 10894529
(2S,4S,5S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-2-methyl-1-phenylmethoxyoct-7-en-4-ol
CID 102089644
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
(2R,3R,4R,5R,7R,8S,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8,10-tetramethyl-1-phenylmethoxyundecane-5,7-diol
CID 10865040

Frequently Asked Questions

What is the IUPAC name of (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol?
The IUPAC name of (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol (CID 51042320) is (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol.
What is the SMILES notation for (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol?
The canonical SMILES for (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol is C=C(C[C@@H](O)C[C@H](COCc1ccccc1)OCc1ccc(OC)cc1)C[C@H](C[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccc(OC)cc1)OC.
What is the InChIKey of (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol?
The InChIKey is GVGYDIOAWZDRPM-MSIQMXJESA-N. The full InChI is InChI=1S/C43H64O8Si/c1-33(25-37(44)27-42(32-48-29-34-13-11-10-12-14-34)50-31-36-17-21-39(46-6)22-18-36)26-41(47-7)28-40(23-24-51-52(8,9)43(2,3)4)49-30-35-15-19-38(45-5)20-16-35/h10-22,37,40-42,44H,1,23-32H2,2-9H3/t37-,40-,41-,42-/m1/s1.
What are the key properties of (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol?
(2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol has a molecular weight of 737.06 g/mol, XLogP of 9.30, 25 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,8R,10R)-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,10-bis[(4-methoxyphenyl)methoxy]-6-methylidene-1-phenylmethoxydodecan-4-ol is sourced from PubChem (CID 51042320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).