[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate

C109H212O15Si10 — CID 135072702

IUPAC[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate
SMILESC=C[C@H](C)[C@H](O[Si](O[C@H](C(=C)C)[C@@H](C)/C=C(\C)C(=O)OC[C@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(c1ccccc1)c1ccccc1)/C(C)=C/[C@H](C)[C@H](O[C@@H]1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)C[C@@H](C)CC
InChIInChI=1S/C109H212O15Si10/c1-40-87(32)79-88(33)80-90(35)101(115-109-107(122-133(66-27,67-28)68-29)106(121-132(63-24,64-25)65-26)103(118-129(54-15,55-16)56-17)97(114-109)84-112-125(42-3,43-4)44-5)92(37)81-93(38)102(89(34)41-2)124-134(95-75-71-69-72-76-95,96-77-73-70-74-78-96)123-100(86(30)31)91(36)82-94(39)108(110)111-83-98(116-127(48-9,49-10)50-11)104(119-130(57-18,58-19)59-20)105(120-131(60-21,61-22)62-23)99(117-128(51-12,52-13)53-14)85-113-126(45-6,46-7)47-8/h41,69-78,81-82,87-92,97-107,109H,2,30,40,42-68,79-80,83-85H2,1,3-29,31-39H3/b93-81+,94-82+/t87-,88-,89-,90-,91-,92-,97+,98-,99-,100+,101+,102-,103+,104-,105-,106-,107-,109-/m0/s1
InChIKeyDKRLJLGCHKQSAQ-UVWMNDPQSA-N
MW2043.74 g/mol
LogP31.10
Rot. Bonds75

About [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate

[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate (PubChem CID 135072702) has the molecular formula C109H212O15Si10 and a molecular weight of 2043.74 g/mol. Its IUPAC name is [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate.

Molecular Properties

Compound Name[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate
PubChem CID135072702
Molecular FormulaC109H212O15Si10
Molecular Weight2043.74 g/mol
Exact Mass2041.35
IUPAC Name[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate
SMILESC=C[C@H](C)[C@H](O[Si](O[C@H](C(=C)C)[C@@H](C)/C=C(\C)C(=O)OC[C@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(c1ccccc1)c1ccccc1)/C(C)=C/[C@H](C)[C@H](O[C@@H]1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)C[C@@H](C)CC
InChIInChI=1S/C109H212O15Si10/c1-40-87(32)79-88(33)80-90(35)101(115-109-107(122-133(66-27,67-28)68-29)106(121-132(63-24,64-25)65-26)103(118-129(54-15,55-16)56-17)97(114-109)84-112-125(42-3,43-4)44-5)92(37)81-93(38)102(89(34)41-2)124-134(95-75-71-69-72-76-95,96-77-73-70-74-78-96)123-100(86(30)31)91(36)82-94(39)108(110)111-83-98(116-127(48-9,49-10)50-11)104(119-130(57-18,58-19)59-20)105(120-131(60-21,61-22)62-23)99(117-128(51-12,52-13)53-14)85-113-126(45-6,46-7)47-8/h41,69-78,81-82,87-92,97-107,109H,2,30,40,42-68,79-80,83-85H2,1,3-29,31-39H3/b93-81+,94-82+/t87-,88-,89-,90-,91-,92-,97+,98-,99-,100+,101+,102-,103+,104-,105-,106-,107-,109-/m0/s1
InChIKeyDKRLJLGCHKQSAQ-UVWMNDPQSA-N
XLogP31.10
TPSA146.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds75
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.74
LogP ≤ 531.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate?
The IUPAC name of [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate (CID 135072702) is [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate.
What is the SMILES notation for [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate?
The canonical SMILES for [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate is C=C[C@H](C)[C@H](O[Si](O[C@H](C(=C)C)[C@@H](C)/C=C(\C)C(=O)OC[C@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(c1ccccc1)c1ccccc1)/C(C)=C/[C@H](C)[C@H](O[C@@H]1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)C[C@@H](C)CC.
What is the InChIKey of [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate?
The InChIKey is DKRLJLGCHKQSAQ-UVWMNDPQSA-N. The full InChI is InChI=1S/C109H212O15Si10/c1-40-87(32)79-88(33)80-90(35)101(115-109-107(122-133(66-27,67-28)68-29)106(121-132(63-24,64-25)65-26)103(118-129(54-15,55-16)56-17)97(114-109)84-112-125(42-3,43-4)44-5)92(37)81-93(38)102(89(34)41-2)124-134(95-75-71-69-72-76-95,96-77-73-70-74-78-96)123-100(86(30)31)91(36)82-94(39)108(110)111-83-98(116-127(48-9,49-10)50-11)104(119-130(57-18,58-19)59-20)105(120-131(60-21,61-22)62-23)99(117-128(51-12,52-13)53-14)85-113-126(45-6,46-7)47-8/h41,69-78,81-82,87-92,97-107,109H,2,30,40,42-68,79-80,83-85H2,1,3-29,31-39H3/b93-81+,94-82+/t87-,88-,89-,90-,91-,92-,97+,98-,99-,100+,101+,102-,103+,104-,105-,106-,107-,109-/m0/s1.
What are the key properties of [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate?
[(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate has a molecular weight of 2043.74 g/mol, XLogP of 31.10, 75 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S)-2,3,4,5,6-pentakis(triethylsilyloxy)hexyl] (2E,4S,5S)-5-[[(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-yl]oxy-diphenylsilyl]oxy-2,4,6-trimethylhepta-2,6-dienoate is sourced from PubChem (CID 135072702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).