(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol

C41H68O7Si — CID 53494607

IUPAC(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol
SMILESCOCOC[C@H](C)[C@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C/[C@@H](O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C41H68O7Si/c1-29(2)49(30(3)4,31(5)6)48-25-33(8)39(42)23-18-32(7)40(46-27-37-19-21-38(44-12)22-20-37)35(10)41(34(9)24-45-28-43-11)47-26-36-16-14-13-15-17-36/h13-23,29-35,39-42H,24-28H2,1-12H3/b23-18+/t32-,33+,34-,35+,39+,40-,41-/m0/s1
InChIKeyGFFGURWYGKBLJC-NYHFYVHLSA-N
MW701.07 g/mol
LogP9.44
Rot. Bonds24

About (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol

(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol (PubChem CID 53494607) has the molecular formula C41H68O7Si and a molecular weight of 701.07 g/mol. Its IUPAC name is (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol.

Molecular Properties

Compound Name(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol
PubChem CID53494607
Molecular FormulaC41H68O7Si
Molecular Weight701.07 g/mol
Exact Mass700.47
IUPAC Name(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol
SMILESCOCOC[C@H](C)[C@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C/[C@@H](O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C41H68O7Si/c1-29(2)49(30(3)4,31(5)6)48-25-33(8)39(42)23-18-32(7)40(46-27-37-19-21-38(44-12)22-20-37)35(10)41(34(9)24-45-28-43-11)47-26-36-16-14-13-15-17-36/h13-23,29-35,39-42H,24-28H2,1-12H3/b23-18+/t32-,33+,34-,35+,39+,40-,41-/m0/s1
InChIKeyGFFGURWYGKBLJC-NYHFYVHLSA-N
XLogP9.44
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.07
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z,1R,2S,6S,7R,8R,9S,10S)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxyundec-3-enoxy]-tri(propan-2-yl)silane
CID 11105007
ethyl (2R,3S,4S,5S,6S)-2,3-dihydroxy-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-7-phenylmethoxyheptanoate
CID 10906647
(Z,3R,4S,7S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,8-dimethylnon-5-ene-1,7-diol
CID 154707062
(Z,2S,3S,4R,6S,10S,11R,12S)-3-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-13-phenylmethoxy-11-tri(propan-2-yl)silyloxytridec-8-en-5-one
CID 10897976
[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl] (2R,3S,4S,5S,6S,8R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4,6,8-tetramethyl-9-tri(propan-2-yl)silyloxynonanoate
CID 15946964
(2S,3S,4S,5S,6S)-2,4,6-trimethyl-3,5,7-tris(phenylmethoxy)heptanal
CID 54752965
(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
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(3R,4R,5E,7S,8S,9E,11R,12S,13R,14S)-11,15-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-3,13-bis[(4-methoxyphenyl)methoxy]-4,8,10,12,14-pentamethylpentadeca-5,9-dien-7-ol
CID 102380785
(2R,3R,4S,5R,6R)-2,4,6-trimethyl-1,3-bis(phenylmethoxy)nonan-5-ol
CID 134836814
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3R,4R,5S,6S,9S,10S,11R)-12-[tert-butyl(diphenyl)silyl]oxy-4,10-bis(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-3,5,9,11-tetramethyldodec-7-yn-6-ol
CID 10747636

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol?
The IUPAC name of (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol (CID 53494607) is (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol.
What is the SMILES notation for (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol?
The canonical SMILES for (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol is COCOC[C@H](C)[C@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C/[C@@H](O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol?
The InChIKey is GFFGURWYGKBLJC-NYHFYVHLSA-N. The full InChI is InChI=1S/C41H68O7Si/c1-29(2)49(30(3)4,31(5)6)48-25-33(8)39(42)23-18-32(7)40(46-27-37-19-21-38(44-12)22-20-37)35(10)41(34(9)24-45-28-43-11)47-26-36-16-14-13-15-17-36/h13-23,29-35,39-42H,24-28H2,1-12H3/b23-18+/t32-,33+,34-,35+,39+,40-,41-/m0/s1.
What are the key properties of (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol?
(E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol has a molecular weight of 701.07 g/mol, XLogP of 9.44, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,6S,7S,8R,9S,10S)-11-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2,6,8,10-tetramethyl-9-phenylmethoxy-1-tri(propan-2-yl)silyloxyundec-4-en-3-ol is sourced from PubChem (CID 53494607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).