[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate

C138H202O18Si8 — CID 101417844

IUPAC[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate
SMILESCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(-c4ccc(OC(=O)c5ccc(OCCCCCCOCCC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CCCOCCCCCCOc6ccc(C(=O)Oc7ccc(-c8cccc(OC(=O)c9ccc(OC(=O)c%10ccc(OCCCCCCCCCCCC)cc%10)cc9)c8)cc7)cc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C138H202O18Si8/c1-19-21-23-25-27-29-31-33-35-43-91-147-123-71-63-117(64-72-123)135(141)153-129-83-67-119(68-84-129)137(143)155-131-53-47-51-121(111-131)113-55-79-127(80-56-113)151-133(139)115-59-75-125(76-60-115)149-93-45-39-37-41-87-145-89-49-95-157(3,4)97-99-159(7,8)101-103-161(11,12)105-107-163(15,16)109-110-164(17,18)108-106-162(13,14)104-102-160(9,10)100-98-158(5,6)96-50-90-146-88-42-38-40-46-94-150-126-77-61-116(62-78-126)134(140)152-128-81-57-114(58-82-128)122-52-48-54-132(112-122)156-138(144)120-69-85-130(86-70-120)154-136(142)118-65-73-124(74-66-118)148-92-44-36-34-32-30-28-26-24-22-20-2/h47-48,51-86,111-112H,19-46,49-50,87-110H2,1-18H3
InChIKeyWGDCZLJSAAAZCE-UHFFFAOYSA-N
MW2373.80 g/mol
LogP39.99
Rot. Bonds83

About [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate

[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate (PubChem CID 101417844) has the molecular formula C138H202O18Si8 and a molecular weight of 2373.80 g/mol. Its IUPAC name is [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate.

Molecular Properties

Compound Name[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate
PubChem CID101417844
Molecular FormulaC138H202O18Si8
Molecular Weight2373.80 g/mol
Exact Mass2371.30
IUPAC Name[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate
SMILESCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(-c4ccc(OC(=O)c5ccc(OCCCCCCOCCC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CCCOCCCCCCOc6ccc(C(=O)Oc7ccc(-c8cccc(OC(=O)c9ccc(OC(=O)c%10ccc(OCCCCCCCCCCCC)cc%10)cc9)c8)cc7)cc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C138H202O18Si8/c1-19-21-23-25-27-29-31-33-35-43-91-147-123-71-63-117(64-72-123)135(141)153-129-83-67-119(68-84-129)137(143)155-131-53-47-51-121(111-131)113-55-79-127(80-56-113)151-133(139)115-59-75-125(76-60-115)149-93-45-39-37-41-87-145-89-49-95-157(3,4)97-99-159(7,8)101-103-161(11,12)105-107-163(15,16)109-110-164(17,18)108-106-162(13,14)104-102-160(9,10)100-98-158(5,6)96-50-90-146-88-42-38-40-46-94-150-126-77-61-116(62-78-126)134(140)152-128-81-57-114(58-82-128)122-52-48-54-132(112-122)156-138(144)120-69-85-130(86-70-120)154-136(142)118-65-73-124(74-66-118)148-92-44-36-34-32-30-28-26-24-22-20-2/h47-48,51-86,111-112H,19-46,49-50,87-110H2,1-18H3
InChIKeyWGDCZLJSAAAZCE-UHFFFAOYSA-N
XLogP39.99
TPSA213.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds83
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002373.80
LogP ≤ 539.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate with MolForge

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Related Compounds

[4-[3-[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 4-octoxybenzoate
CID 102071980
[4-[3-[4-(4-dodecoxyphenyl)benzoyl]oxyphenyl]phenyl] 4-(4-dodecoxyphenyl)benzoate
CID 102441735
[3-[4-(4-undecoxyphenyl)benzoyl]oxyphenyl] 4-(4-undecoxyphenyl)benzoate
CID 132510534
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900
3-[4-(4-dodecoxybenzoyl)oxyphenyl]benzoic acid
CID 19881866
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
phenyl 4-(4-undecoxyphenyl)benzoate
CID 23178776
[4-[5-[4-[4-(4-tetradecoxyphenyl)benzoyl]oxyphenoxy]pentoxy]phenyl] 4-(4-tetradecoxyphenyl)benzoate
CID 122380528
(4-nonoxyphenyl) 4-(4-octoxyphenyl)benzoate
CID 23172652
[4-(4-hexoxyphenyl)phenyl] 4-decoxybenzoate
CID 59933307
[4-[3-[4-[4-[5-oxo-5-(2,3,4,5,6-pentafluorophenoxy)pentoxy]benzoyl]oxyphenyl]phenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102352497

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate?
The IUPAC name of [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate (CID 101417844) is [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate.
What is the SMILES notation for [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate?
The canonical SMILES for [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate is CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(-c4ccc(OC(=O)c5ccc(OCCCCCCOCCC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CC[Si](C)(C)CCCOCCCCCCOc6ccc(C(=O)Oc7ccc(-c8cccc(OC(=O)c9ccc(OC(=O)c%10ccc(OCCCCCCCCCCCC)cc%10)cc9)c8)cc7)cc6)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate?
The InChIKey is WGDCZLJSAAAZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H202O18Si8/c1-19-21-23-25-27-29-31-33-35-43-91-147-123-71-63-117(64-72-123)135(141)153-129-83-67-119(68-84-129)137(143)155-131-53-47-51-121(111-131)113-55-79-127(80-56-113)151-133(139)115-59-75-125(76-60-115)149-93-45-39-37-41-87-145-89-49-95-157(3,4)97-99-159(7,8)101-103-161(11,12)105-107-163(15,16)109-110-164(17,18)108-106-162(13,14)104-102-160(9,10)100-98-158(5,6)96-50-90-146-88-42-38-40-46-94-150-126-77-61-116(62-78-126)134(140)152-128-81-57-114(58-82-128)122-52-48-54-132(112-122)156-138(144)120-69-85-130(86-70-120)154-136(142)118-65-73-124(74-66-118)148-92-44-36-34-32-30-28-26-24-22-20-2/h47-48,51-86,111-112H,19-46,49-50,87-110H2,1-18H3.
What are the key properties of [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate?
[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate has a molecular weight of 2373.80 g/mol, XLogP of 39.99, 83 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl] 4-[6-[3-[2-[2-[2-[2-[2-[2-[2-[3-[6-[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenoxy]hexoxy]propyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]ethyl-dimethylsilyl]propoxy]hexoxy]benzoate is sourced from PubChem (CID 101417844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).