2-hexadecoxy-1,4-dimethylbenzene

C24H42O — CID 102286063

IUPAC2-hexadecoxy-1,4-dimethylbenzene
SMILESCCCCCCCCCCCCCCCCOc1cc(C)ccc1C
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-24-21-22(2)18-19-23(24)3/h18-19,21H,4-17,20H2,1-3H3
InChIKeyYNPYCHSGTQZERP-UHFFFAOYSA-N
MW346.60 g/mol
LogP8.16
Rot. Bonds16

About 2-hexadecoxy-1,4-dimethylbenzene

2-hexadecoxy-1,4-dimethylbenzene (PubChem CID 102286063) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-hexadecoxy-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-hexadecoxy-1,4-dimethylbenzene
PubChem CID102286063
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2-hexadecoxy-1,4-dimethylbenzene
SMILESCCCCCCCCCCCCCCCCOc1cc(C)ccc1C
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-24-21-22(2)18-19-23(24)3/h18-19,21H,4-17,20H2,1-3H3
InChIKeyYNPYCHSGTQZERP-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 58.16
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

1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
3-hexadecoxy-4-methylaniline
CID 57081496
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-methyl-2-tetradecoxyphenol
CID 19014152
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
4-(2,5-dimethylphenoxy)butyl-diethylazanium
CID 2245590
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
CID 91744864
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]hexadecan-1-amine
CID 54855433

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxy-1,4-dimethylbenzene?
The IUPAC name of 2-hexadecoxy-1,4-dimethylbenzene (CID 102286063) is 2-hexadecoxy-1,4-dimethylbenzene.
What is the SMILES notation for 2-hexadecoxy-1,4-dimethylbenzene?
The canonical SMILES for 2-hexadecoxy-1,4-dimethylbenzene is CCCCCCCCCCCCCCCCOc1cc(C)ccc1C.
What is the InChIKey of 2-hexadecoxy-1,4-dimethylbenzene?
The InChIKey is YNPYCHSGTQZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-24-21-22(2)18-19-23(24)3/h18-19,21H,4-17,20H2,1-3H3.
What are the key properties of 2-hexadecoxy-1,4-dimethylbenzene?
2-hexadecoxy-1,4-dimethylbenzene has a molecular weight of 346.60 g/mol, XLogP of 8.16, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxy-1,4-dimethylbenzene is sourced from PubChem (CID 102286063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).