2,2-di(undecoxy)ethylbenzene

C30H54O2 — CID 3023162

IUPAC2,2-di(undecoxy)ethylbenzene
SMILESCCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC
InChIInChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3
InChIKeyFFSLFIYMXFVLQN-UHFFFAOYSA-N
MW446.76 g/mol
LogP9.65
Rot. Bonds24

About 2,2-di(undecoxy)ethylbenzene

2,2-di(undecoxy)ethylbenzene (PubChem CID 3023162) has the molecular formula C30H54O2 and a molecular weight of 446.76 g/mol. Its IUPAC name is 2,2-di(undecoxy)ethylbenzene.

Molecular Properties

Compound Name2,2-di(undecoxy)ethylbenzene
PubChem CID3023162
Molecular FormulaC30H54O2
Molecular Weight446.76 g/mol
Exact Mass446.41
IUPAC Name2,2-di(undecoxy)ethylbenzene
SMILESCCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC
InChIInChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3
InChIKeyFFSLFIYMXFVLQN-UHFFFAOYSA-N
XLogP9.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
2-(1-butoxypropoxy)ethylbenzene
CID 71445945
3-benzylperoxy-3-dodecoxypropane-1,2-diol
CID 151185608
1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol
CID 70586721
docosyl (2S)-2-amino-3-phenylpropanoate
CID 139923900
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
2-benzyltetradecylbenzene
CID 22920205
(2-decoxy-3-phenylmethoxypropyl) methanesulfonate
CID 118469001
1-dodecoxyhexylbenzene
CID 174774790
nonoxy(phenyl)methanol
CID 70405769
octadecoxy(phenyl)methanol
CID 141167921

Frequently Asked Questions

What is the IUPAC name of 2,2-di(undecoxy)ethylbenzene?
The IUPAC name of 2,2-di(undecoxy)ethylbenzene (CID 3023162) is 2,2-di(undecoxy)ethylbenzene.
What is the SMILES notation for 2,2-di(undecoxy)ethylbenzene?
The canonical SMILES for 2,2-di(undecoxy)ethylbenzene is CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC.
What is the InChIKey of 2,2-di(undecoxy)ethylbenzene?
The InChIKey is FFSLFIYMXFVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3.
What are the key properties of 2,2-di(undecoxy)ethylbenzene?
2,2-di(undecoxy)ethylbenzene has a molecular weight of 446.76 g/mol, XLogP of 9.65, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(undecoxy)ethylbenzene is sourced from PubChem (CID 3023162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).