[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene

C51H76O5 — CID 101454481

IUPAC[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene
SMILESC=CCCCCCCCCCC(CCCCCCCCCC=C)COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H76O5/c1-3-5-7-9-11-13-15-17-22-30-47(31-23-18-16-14-12-10-8-6-4-2)46-55-43-42-53-39-38-52-40-41-54-44-45-56-51(48-32-24-19-25-33-48,49-34-26-20-27-35-49)50-36-28-21-29-37-50/h3-4,19-21,24-29,32-37,47H,1-2,5-18,22-23,30-31,38-46H2
InChIKeyOGIKTYHZDRUAKN-UHFFFAOYSA-N
MW769.16 g/mol
LogP13.07
Rot. Bonds38

About [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene

[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene (PubChem CID 101454481) has the molecular formula C51H76O5 and a molecular weight of 769.16 g/mol. Its IUPAC name is [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene.

Molecular Properties

Compound Name[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene
PubChem CID101454481
Molecular FormulaC51H76O5
Molecular Weight769.16 g/mol
Exact Mass768.57
IUPAC Name[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene
SMILESC=CCCCCCCCCCC(CCCCCCCCCC=C)COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H76O5/c1-3-5-7-9-11-13-15-17-22-30-47(31-23-18-16-14-12-10-8-6-4-2)46-55-43-42-53-39-38-52-40-41-54-44-45-56-51(48-32-24-19-25-33-48,49-34-26-20-27-35-49)50-36-28-21-29-37-50/h3-4,19-21,24-29,32-37,47H,1-2,5-18,22-23,30-31,38-46H2
InChIKeyOGIKTYHZDRUAKN-UHFFFAOYSA-N
XLogP13.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds38
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.16
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-hex-5-enoxy-1-trityloxyundecan-3-ol
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3-trityloxypropanal
CID 571223
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
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CID 173180917
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
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1,5-ditrityloxypentan-3-ol
CID 140507927

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The IUPAC name of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene (CID 101454481) is [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene.
What is the SMILES notation for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The canonical SMILES for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene is C=CCCCCCCCCCC(CCCCCCCCCC=C)COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The InChIKey is OGIKTYHZDRUAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H76O5/c1-3-5-7-9-11-13-15-17-22-30-47(31-23-18-16-14-12-10-8-6-4-2)46-55-43-42-53-39-38-52-40-41-54-44-45-56-51(48-32-24-19-25-33-48,49-34-26-20-27-35-49)50-36-28-21-29-37-50/h3-4,19-21,24-29,32-37,47H,1-2,5-18,22-23,30-31,38-46H2.
What are the key properties of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene has a molecular weight of 769.16 g/mol, XLogP of 13.07, 38 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene is sourced from PubChem (CID 101454481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).