(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal

C35H62O6Si2 — CID 11061225

IUPAC(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal
SMILESCOc1ccc(COC/C=C(\C)[C@H](OC)[C@@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H62O6Si2/c1-26(20-22-36)31(40-42(12,13)34(4,5)6)24-32(41-43(14,15)35(7,8)9)28(3)33(38-11)27(2)21-23-39-25-29-16-18-30(37-10)19-17-29/h16-22,28,31-33H,23-25H2,1-15H3/b26-20+,27-21+/t28-,31-,32-,33-/m0/s1
InChIKeyLPMGAKKSPREVDW-ILLCGRCLSA-N
MW635.05 g/mol
LogP9.13
Rot. Bonds17

About (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal

(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal (PubChem CID 11061225) has the molecular formula C35H62O6Si2 and a molecular weight of 635.05 g/mol. Its IUPAC name is (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal.

Molecular Properties

Compound Name(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal
PubChem CID11061225
Molecular FormulaC35H62O6Si2
Molecular Weight635.05 g/mol
Exact Mass634.41
IUPAC Name(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal
SMILESCOc1ccc(COC/C=C(\C)[C@H](OC)[C@@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H62O6Si2/c1-26(20-22-36)31(40-42(12,13)34(4,5)6)24-32(41-43(14,15)35(7,8)9)28(3)33(38-11)27(2)21-23-39-25-29-16-18-30(37-10)19-17-29/h16-22,28,31-33H,23-25H2,1-15H3/b26-20+,27-21+/t28-,31-,32-,33-/m0/s1
InChIKeyLPMGAKKSPREVDW-ILLCGRCLSA-N
XLogP9.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.05
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal with MolForge

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Related Compounds

tert-butyl-[(3S,4S,5E)-7-[(4-methoxyphenyl)methoxy]-3,5-dimethylhepta-1,5-dien-4-yl]oxy-dimethylsilane
CID 66938059
(2E,4R,5R,6S,8S,9E)-11-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-3,5,9-trimethylundeca-2,9-dien-6-ol
CID 102461439
(E,3S,4S,5R)-5-methoxy-8-[(4-methoxyphenyl)methoxy]-4,6-dimethyloct-6-ene-1,3-diol
CID 10860702
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
[(2E,4R,5S,6S,8S,9E,11E,13R)-4-methoxy-1-[(4-methoxyphenyl)methoxy]-3,5,9-trimethyl-13-[(2R,4S)-6-oxo-4-(2-oxoethyl)oxan-2-yl]-8-tri(propan-2-yl)silyloxytetradeca-2,9,11-trien-6-yl] 2-diethoxyphosphorylacetate
CID 11309027
(E)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4-methylidenehept-2-enal
CID 11703821
methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate
CID 16732375
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(E,2R,3R,6S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyloct-4-enal
CID 11750897
methyl (3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,2,4-trimethylheptanoate
CID 52951078
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742

Frequently Asked Questions

What is the IUPAC name of (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal?
The IUPAC name of (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal (CID 11061225) is (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal.
What is the SMILES notation for (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal?
The canonical SMILES for (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal is COc1ccc(COC/C=C(\C)[C@H](OC)[C@@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal?
The InChIKey is LPMGAKKSPREVDW-ILLCGRCLSA-N. The full InChI is InChI=1S/C35H62O6Si2/c1-26(20-22-36)31(40-42(12,13)34(4,5)6)24-32(41-43(14,15)35(7,8)9)28(3)33(38-11)27(2)21-23-39-25-29-16-18-30(37-10)19-17-29/h16-22,28,31-33H,23-25H2,1-15H3/b26-20+,27-21+/t28-,31-,32-,33-/m0/s1.
What are the key properties of (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal?
(2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal has a molecular weight of 635.05 g/mol, XLogP of 9.13, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6S,7R,8R,9E)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethylundeca-2,9-dienal is sourced from PubChem (CID 11061225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).