2,6-dimethyltetradecoxybenzene

C22H38O — CID 163303720

IUPAC2,6-dimethyltetradecoxybenzene
SMILESCCCCCCCCC(C)CCCC(C)COc1ccccc1
InChIInChI=1S/C22H38O/c1-4-5-6-7-8-10-14-20(2)15-13-16-21(3)19-23-22-17-11-9-12-18-22/h9,11-12,17-18,20-21H,4-8,10,13-16,19H2,1-3H3
InChIKeyJFQJCFJPAOMXMW-UHFFFAOYSA-N
MW318.54 g/mol
LogP7.26
Rot. Bonds14

About 2,6-dimethyltetradecoxybenzene

2,6-dimethyltetradecoxybenzene (PubChem CID 163303720) has the molecular formula C22H38O and a molecular weight of 318.54 g/mol. Its IUPAC name is 2,6-dimethyltetradecoxybenzene.

Molecular Properties

Compound Name2,6-dimethyltetradecoxybenzene
PubChem CID163303720
Molecular FormulaC22H38O
Molecular Weight318.54 g/mol
Exact Mass318.29
IUPAC Name2,6-dimethyltetradecoxybenzene
SMILESCCCCCCCCC(C)CCCC(C)COc1ccccc1
InChIInChI=1S/C22H38O/c1-4-5-6-7-8-10-14-20(2)15-13-16-21(3)19-23-22-17-11-9-12-18-22/h9,11-12,17-18,20-21H,4-8,10,13-16,19H2,1-3H3
InChIKeyJFQJCFJPAOMXMW-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyldodecoxybenzene
CID 163303723
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
1-phenoxydecan-2-ylhydrazine
CID 105212962
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
10-methyldodecoxybenzene
CID 143389992
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
1-phenoxy-N-propyldecan-2-amine
CID 63416663

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyltetradecoxybenzene?
The IUPAC name of 2,6-dimethyltetradecoxybenzene (CID 163303720) is 2,6-dimethyltetradecoxybenzene.
What is the SMILES notation for 2,6-dimethyltetradecoxybenzene?
The canonical SMILES for 2,6-dimethyltetradecoxybenzene is CCCCCCCCC(C)CCCC(C)COc1ccccc1.
What is the InChIKey of 2,6-dimethyltetradecoxybenzene?
The InChIKey is JFQJCFJPAOMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-4-5-6-7-8-10-14-20(2)15-13-16-21(3)19-23-22-17-11-9-12-18-22/h9,11-12,17-18,20-21H,4-8,10,13-16,19H2,1-3H3.
What are the key properties of 2,6-dimethyltetradecoxybenzene?
2,6-dimethyltetradecoxybenzene has a molecular weight of 318.54 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyltetradecoxybenzene is sourced from PubChem (CID 163303720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).