(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol

C40H72O6Si2 — CID 11158327

IUPAC(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol
SMILESC=C1C[C@H](CCOCc2ccc(OC)cc2)O[C@H](C[C@H](O)CC(=C)[C@@H](C)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C40H72O6Si2/c1-30-25-37(21-23-43-29-33-16-19-35(42-10)20-17-33)45-38(26-30)28-34(41)27-32(3)31(2)15-18-36(46-48(13,14)40(7,8)9)22-24-44-47(11,12)39(4,5)6/h16-17,19-20,31,34,36-38,41H,1,3,15,18,21-29H2,2,4-14H3/t31-,34+,36-,37-,38-/m0/s1
InChIKeyHIUOTZSIKYMKJI-OJDBQOGLSA-N
MW705.18 g/mol
LogP10.62
Rot. Bonds20

About (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol

(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol (PubChem CID 11158327) has the molecular formula C40H72O6Si2 and a molecular weight of 705.18 g/mol. Its IUPAC name is (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol.

Molecular Properties

Compound Name(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol
PubChem CID11158327
Molecular FormulaC40H72O6Si2
Molecular Weight705.18 g/mol
Exact Mass704.49
IUPAC Name(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol
SMILESC=C1C[C@H](CCOCc2ccc(OC)cc2)O[C@H](C[C@H](O)CC(=C)[C@@H](C)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C40H72O6Si2/c1-30-25-37(21-23-43-29-33-16-19-35(42-10)20-17-33)45-38(26-30)28-34(41)27-32(3)31(2)15-18-36(46-48(13,14)40(7,8)9)22-24-44-47(11,12)39(4,5)6/h16-17,19-20,31,34,36-38,41H,1,3,15,18,21-29H2,2,4-14H3/t31-,34+,36-,37-,38-/m0/s1
InChIKeyHIUOTZSIKYMKJI-OJDBQOGLSA-N
XLogP10.62
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.18
LogP ≤ 510.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]-5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2-methyloctan-3-one
CID 102082589
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
[(E,3R)-7-bromo-1-[(4-methoxyphenyl)methoxy]-5-methylhept-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 59051507
tert-butyl-[(1R)-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]-3-methylbut-2-enoxy]-dimethylsilane
CID 52951766
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(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
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
[(2S)-1-[(2R,3R,4S,5S)-5-(2-butoxyethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 134990310
tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane
CID 11722008
(E)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4-methylidenehept-2-enal
CID 11703821

Frequently Asked Questions

What is the IUPAC name of (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol?
The IUPAC name of (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol (CID 11158327) is (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol.
What is the SMILES notation for (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol?
The canonical SMILES for (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol is C=C1C[C@H](CCOCc2ccc(OC)cc2)O[C@H](C[C@H](O)CC(=C)[C@@H](C)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol?
The InChIKey is HIUOTZSIKYMKJI-OJDBQOGLSA-N. The full InChI is InChI=1S/C40H72O6Si2/c1-30-25-37(21-23-43-29-33-16-19-35(42-10)20-17-33)45-38(26-30)28-34(41)27-32(3)31(2)15-18-36(46-48(13,14)40(7,8)9)22-24-44-47(11,12)39(4,5)6/h16-17,19-20,31,34,36-38,41H,1,3,15,18,21-29H2,2,4-14H3/t31-,34+,36-,37-,38-/m0/s1.
What are the key properties of (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol?
(2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol has a molecular weight of 705.18 g/mol, XLogP of 10.62, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8S)-8,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]-5-methyl-4-methylidenedecan-2-ol is sourced from PubChem (CID 11158327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).