1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene

C28H50O5 — CID 118325862

IUPAC1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCCCCCCCCCCC(C)c1ccc(COCCOCCOCCOCCOC)cc1
InChIInChI=1S/C28H50O5/c1-4-5-6-7-8-9-10-11-12-26(2)28-15-13-27(14-16-28)25-33-24-23-32-22-21-31-20-19-30-18-17-29-3/h13-16,26H,4-12,17-25H2,1-3H3
InChIKeyYTSUNCZQMRFRRN-UHFFFAOYSA-N
MW466.70 g/mol
LogP6.53
Rot. Bonds24

About 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene

1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene (PubChem CID 118325862) has the molecular formula C28H50O5 and a molecular weight of 466.70 g/mol. Its IUPAC name is 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
PubChem CID118325862
Molecular FormulaC28H50O5
Molecular Weight466.70 g/mol
Exact Mass466.37
IUPAC Name1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCCCCCCCCCCC(C)c1ccc(COCCOCCOCCOCCOC)cc1
InChIInChI=1S/C28H50O5/c1-4-5-6-7-8-9-10-11-12-26(2)28-15-13-27(14-16-28)25-33-24-23-32-22-21-31-20-19-30-18-17-29-3/h13-16,26H,4-12,17-25H2,1-3H3
InChIKeyYTSUNCZQMRFRRN-UHFFFAOYSA-N
XLogP6.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.70
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 118325882
2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
CID 118325776
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
CID 131994370
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
4-octan-2-ylphenol;4-octylphenol
CID 157081049
4-docosan-2-ylaniline
CID 22757336
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene
CID 130409372
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722

Frequently Asked Questions

What is the IUPAC name of 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The IUPAC name of 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene (CID 118325862) is 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The canonical SMILES for 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene is CCCCCCCCCCC(C)c1ccc(COCCOCCOCCOCCOC)cc1.
What is the InChIKey of 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The InChIKey is YTSUNCZQMRFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O5/c1-4-5-6-7-8-9-10-11-12-26(2)28-15-13-27(14-16-28)25-33-24-23-32-22-21-31-20-19-30-18-17-29-3/h13-16,26H,4-12,17-25H2,1-3H3.
What are the key properties of 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene has a molecular weight of 466.70 g/mol, XLogP of 6.53, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 118325862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).