[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane

C40H68O4Si2 — CID 10842160

IUPAC[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@H](OCc1ccc(OC)cc1)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C40H68O4Si2/c1-16-20-38(42-27-35-23-25-37(41-15)26-24-35)34(14)39(43-45(28(2)3,29(4)5)30(6)7)40(36-21-18-17-19-22-36)44-46(31(8)9,32(10)11)33(12)13/h16-19,21-26,28-34,38-40H,1,20,27H2,2-15H3/t34-,38-,39+,40+/m0/s1
InChIKeyIMNPXENHPOGPBR-KZCICRDHSA-N
MW669.15 g/mol
LogP12.29
Rot. Bonds20

About [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane

[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane (PubChem CID 10842160) has the molecular formula C40H68O4Si2 and a molecular weight of 669.15 g/mol. Its IUPAC name is [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane
PubChem CID10842160
Molecular FormulaC40H68O4Si2
Molecular Weight669.15 g/mol
Exact Mass668.47
IUPAC Name[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@H](OCc1ccc(OC)cc1)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C40H68O4Si2/c1-16-20-38(42-27-35-23-25-37(41-15)26-24-35)34(14)39(43-45(28(2)3,29(4)5)30(6)7)40(36-21-18-17-19-22-36)44-46(31(8)9,32(10)11)33(12)13/h16-19,21-26,28-34,38-40H,1,20,27H2,2-15H3/t34-,38-,39+,40+/m0/s1
InChIKeyIMNPXENHPOGPBR-KZCICRDHSA-N
XLogP12.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.15
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Verimol H
CID 85266197
(2R,3S,4R,5S)-2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 17756534
Tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane
CID 10066004
Verimol D
CID 73819207
2-(4-Methoxyphenyl)-5-phenyloxolane
CID 85393704
(2S,3S)-1,2-bis(4-methoxyphenyl)butane-1,3-diol
CID 21668702
(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309
1,3-Propanediol, 1,2-bis(4-methoxyphenyl)-
CID 158751
2,4-Bis(4-methoxyphenyl)-3,5-dimethyloxolane
CID 12470974
Triethyl(4-methoxybenzyloxy)silane
CID 578646
D,L-1,2-Dimethoxy-1,2-bis(p-methoxyphenyl)ethane
CID 591942
4-Methoxybenzyl alcohol, tert-butyldimethylsilyl ether
CID 11075968

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane (CID 10842160) is [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane is C=CC[C@H](OCc1ccc(OC)cc1)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane?
The InChIKey is IMNPXENHPOGPBR-KZCICRDHSA-N. The full InChI is InChI=1S/C40H68O4Si2/c1-16-20-38(42-27-35-23-25-37(41-15)26-24-35)34(14)39(43-45(28(2)3,29(4)5)30(6)7)40(36-21-18-17-19-22-36)44-46(31(8)9,32(10)11)33(12)13/h16-19,21-26,28-34,38-40H,1,20,27H2,2-15H3/t34-,38-,39+,40+/m0/s1.
What are the key properties of [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane?
[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane has a molecular weight of 669.15 g/mol, XLogP of 12.29, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-2-tri(propan-2-yl)silyloxyhept-6-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 10842160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).