(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal

C43H90O5Si4 — CID 134939545

IUPAC(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal
SMILESC[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H90O5Si4/c1-33(32-44)30-36(4)39(48-52(23,24)43(14,15)16)35(3)27-28-37(46-50(19,20)41(8,9)10)31-38(47-51(21,22)42(11,12)13)34(2)26-25-29-45-49(17,18)40(5,6)7/h25-28,32-39H,29-31H2,1-24H3/b26-25+,28-27-/t33-,34-,35+,36+,37-,38+,39+/m1/s1
InChIKeyJCQISKBAWJOAKZ-ASTBMAHESA-N
MW799.53 g/mol
LogP13.82
Rot. Bonds20

About (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal

(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal (PubChem CID 134939545) has the molecular formula C43H90O5Si4 and a molecular weight of 799.53 g/mol. Its IUPAC name is (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal.

Molecular Properties

Compound Name(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal
PubChem CID134939545
Molecular FormulaC43H90O5Si4
Molecular Weight799.53 g/mol
Exact Mass798.59
IUPAC Name(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal
SMILESC[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H90O5Si4/c1-33(32-44)30-36(4)39(48-52(23,24)43(14,15)16)35(3)27-28-37(46-50(19,20)41(8,9)10)31-38(47-51(21,22)42(11,12)13)34(2)26-25-29-45-49(17,18)40(5,6)7/h25-28,32-39H,29-31H2,1-24H3/b26-25+,28-27-/t33-,34-,35+,36+,37-,38+,39+/m1/s1
InChIKeyJCQISKBAWJOAKZ-ASTBMAHESA-N
XLogP13.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.53
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal with MolForge

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Related Compounds

(E,5R,7S,10S,11R)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7,10-dimethyl-13-tri(propan-2-yl)silyltridec-8-en-12-ynal
CID 138980524
2-[(1R,6S)-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]-4-methylcyclohex-3-en-1-yl]acetaldehyde
CID 162397380
(2S,4S,5R,6S,7E,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
CID 15678266
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal
CID 140765700
tert-butyl-[(3S,4S,5E)-3,5-dimethylhepta-1,5-dien-4-yl]oxy-dimethylsilane;(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal;methane
CID 159066370
(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 10599914
(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
CID 10766847
(E,3S,5R)-8-[(4S,5R,6S)-2,2-ditert-butyl-5-methyl-6-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,2-dioxasilinan-4-yl]-5-methoxy-3-methyloct-6-enal
CID 11082631
(Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal
CID 11203085
(2S,4S,5S,6R,7S,8S,9Z)-4,6,8-trimethyl-2,5,7-tris(triethylsilyloxy)dodeca-9,11-dienal
CID 25108331
methyl (2Z,4E,6S,7S,9S,10Z,12S,13R,14S,16R)-7,9,13-tris[[tert-butyl(dimethyl)silyl]oxy]-6,12,14,16-tetramethyl-17-oxoheptadeca-2,4,10-trienoate
CID 25138567
(4R,5S,11S,12R,13E,15E)-17-[tert-butyl(dimethyl)silyl]oxy-5,11,15-trimethyl-4,12-bis(triethylsilyloxy)heptadeca-1,13,15-trien-8-one
CID 49793448

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal?
The IUPAC name of (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal (CID 134939545) is (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal.
What is the SMILES notation for (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal?
The canonical SMILES for (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal is C[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal?
The InChIKey is JCQISKBAWJOAKZ-ASTBMAHESA-N. The full InChI is InChI=1S/C43H90O5Si4/c1-33(32-44)30-36(4)39(48-52(23,24)43(14,15)16)35(3)27-28-37(46-50(19,20)41(8,9)10)31-38(47-51(21,22)42(11,12)13)34(2)26-25-29-45-49(17,18)40(5,6)7/h25-28,32-39H,29-31H2,1-24H3/b26-25+,28-27-/t33-,34-,35+,36+,37-,38+,39+/m1/s1.
What are the key properties of (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal?
(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal has a molecular weight of 799.53 g/mol, XLogP of 13.82, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal is sourced from PubChem (CID 134939545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).