[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane

C45H74O7Si — CID 24905875

IUPAC[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=C)C[C@@H](C)C[C@@H](C[C@H](CCC)OCc1ccc(OC)cc1)OC)OCOCc1ccccc1
InChIInChI=1S/C45H74O7Si/c1-13-18-43(49-32-40-21-23-42(46-11)24-22-40)30-45(47-12)28-37(9)27-38(10)52-44(25-26-51-53(34(3)4,35(5)6)36(7)8)29-41(14-2)50-33-48-31-39-19-16-15-17-20-39/h14-17,19-24,34-37,41,43-45H,2,10,13,18,25-33H2,1,3-9,11-12H3/t37-,41+,43+,44+,45+/m1/s1
InChIKeyVPTBNWYHOWNLCV-MUZLEJPQSA-N
MW755.17 g/mol
LogP11.82
Rot. Bonds30

About [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane

[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane (PubChem CID 24905875) has the molecular formula C45H74O7Si and a molecular weight of 755.17 g/mol. Its IUPAC name is [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane
PubChem CID24905875
Molecular FormulaC45H74O7Si
Molecular Weight755.17 g/mol
Exact Mass754.52
IUPAC Name[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=C)C[C@@H](C)C[C@@H](C[C@H](CCC)OCc1ccc(OC)cc1)OC)OCOCc1ccccc1
InChIInChI=1S/C45H74O7Si/c1-13-18-43(49-32-40-21-23-42(46-11)24-22-40)30-45(47-12)28-37(9)27-38(10)52-44(25-26-51-53(34(3)4,35(5)6)36(7)8)29-41(14-2)50-33-48-31-39-19-16-15-17-20-39/h14-17,19-24,34-37,41,43-45H,2,10,13,18,25-33H2,1,3-9,11-12H3/t37-,41+,43+,44+,45+/m1/s1
InChIKeyVPTBNWYHOWNLCV-MUZLEJPQSA-N
XLogP11.82
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.17
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'}

Analyze [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane with MolForge

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Related Compounds

[(4S,6S,8S,10S)-6-methoxy-8-methyl-10-(phenylmethoxymethoxy)tridec-12-en-4-yl] benzoate
CID 25138527
[(3R,5R)-5-(methoxymethoxy)-1-phenylmethoxyhept-6-en-3-yl] acetate
CID 50915848
methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate
CID 24905826
(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
(4S,8R,10S)-4-hydroxy-8-methyl-10-(phenylmethoxymethoxy)tridec-12-en-6-one
CID 25138493
(E,4S,5S,7S)-5-methoxy-7-[(4-methoxyphenyl)methoxy]-4-methyl-9-phenylmethoxynon-2-en-1-ol
CID 10982856
(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
CID 101054913
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879
(2S,3S,5R)-3,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-8-phenylmethoxyoctanal
CID 53359239
(2S,4S,5S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-2-methyl-1-phenylmethoxyoct-7-en-4-ol
CID 102089644
[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane
CID 71812303
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane (CID 24905875) is [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane is C=C[C@@H](C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=C)C[C@@H](C)C[C@@H](C[C@H](CCC)OCc1ccc(OC)cc1)OC)OCOCc1ccccc1.
What is the InChIKey of [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane?
The InChIKey is VPTBNWYHOWNLCV-MUZLEJPQSA-N. The full InChI is InChI=1S/C45H74O7Si/c1-13-18-43(49-32-40-21-23-42(46-11)24-22-40)30-45(47-12)28-37(9)27-38(10)52-44(25-26-51-53(34(3)4,35(5)6)36(7)8)29-41(14-2)50-33-48-31-39-19-16-15-17-20-39/h14-17,19-24,34-37,41,43-45H,2,10,13,18,25-33H2,1,3-9,11-12H3/t37-,41+,43+,44+,45+/m1/s1.
What are the key properties of [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane?
[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane has a molecular weight of 755.17 g/mol, XLogP of 11.82, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 24905875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).