2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene

C56H64O10 — CID 10941970

IUPAC2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
SMILESc1ccc(COCCOCCO[C@@H]2[C@H](OCCOCCOCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C56H64O10/c1-7-19-45(20-8-1)39-59-33-31-57-35-37-61-51-52(62-38-36-58-32-34-60-40-46-21-9-2-10-22-46)54(64-42-48-25-13-4-14-26-48)56(66-44-50-29-17-6-18-30-50)55(65-43-49-27-15-5-16-28-49)53(51)63-41-47-23-11-3-12-24-47/h1-30,51-56H,31-44H2/t51-,52+,53-,54-,55+,56+/m0/s1
InChIKeyRDCBQBRQZWNZSI-OIWMUXNUSA-N
MW897.12 g/mol
LogP9.58
Rot. Bonds30

About 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene

2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene (PubChem CID 10941970) has the molecular formula C56H64O10 and a molecular weight of 897.12 g/mol. Its IUPAC name is 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene.

Molecular Properties

Compound Name2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
PubChem CID10941970
Molecular FormulaC56H64O10
Molecular Weight897.12 g/mol
Exact Mass896.45
IUPAC Name2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
SMILESc1ccc(COCCOCCO[C@@H]2[C@H](OCCOCCOCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C56H64O10/c1-7-19-45(20-8-1)39-59-33-31-57-35-37-61-51-52(62-38-36-58-32-34-60-40-46-21-9-2-10-22-46)54(64-42-48-25-13-4-14-26-48)56(66-44-50-29-17-6-18-30-50)55(65-43-49-27-15-5-16-28-49)53(51)63-41-47-23-11-3-12-24-47/h1-30,51-56H,31-44H2/t51-,52+,53-,54-,55+,56+/m0/s1
InChIKeyRDCBQBRQZWNZSI-OIWMUXNUSA-N
XLogP9.58
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.12
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene with MolForge

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
CID 144529149
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
CID 91659041
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
3-[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxypropan-1-ol
CID 123313104
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene?
The IUPAC name of 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene (CID 10941970) is 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene.
What is the SMILES notation for 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene?
The canonical SMILES for 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene is c1ccc(COCCOCCO[C@@H]2[C@H](OCCOCCOCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene?
The InChIKey is RDCBQBRQZWNZSI-OIWMUXNUSA-N. The full InChI is InChI=1S/C56H64O10/c1-7-19-45(20-8-1)39-59-33-31-57-35-37-61-51-52(62-38-36-58-32-34-60-40-46-21-9-2-10-22-46)54(64-42-48-25-13-4-14-26-48)56(66-44-50-29-17-6-18-30-50)55(65-43-49-27-15-5-16-28-49)53(51)63-41-47-23-11-3-12-24-47/h1-30,51-56H,31-44H2/t51-,52+,53-,54-,55+,56+/m0/s1.
What are the key properties of 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene?
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene has a molecular weight of 897.12 g/mol, XLogP of 9.58, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene is sourced from PubChem (CID 10941970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).