8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid

C25H38O4S — CID 101310381

IUPAC8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)c2c(OC)cccc12
InChIInChI=1S/C25H38O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20-24(30(26,27)28)25-22(21)17-15-18-23(25)29-2/h15,17-20H,3-14,16H2,1-2H3,(H,26,27,28)
InChIKeyGVJPDSMJIKQIEP-UHFFFAOYSA-N
MW434.64 g/mol
LogP7.34
Rot. Bonds15

About 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid

8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid (PubChem CID 101310381) has the molecular formula C25H38O4S and a molecular weight of 434.64 g/mol. Its IUPAC name is 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid
PubChem CID101310381
Molecular FormulaC25H38O4S
Molecular Weight434.64 g/mol
Exact Mass434.25
IUPAC Name8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)c2c(OC)cccc12
InChIInChI=1S/C25H38O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20-24(30(26,27)28)25-22(21)17-15-18-23(25)29-2/h15,17-20H,3-14,16H2,1-2H3,(H,26,27,28)
InChIKeyGVJPDSMJIKQIEP-UHFFFAOYSA-N
XLogP7.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4,8-dipentylnaphthalene-1-sulfonic acid
CID 101322532
5,8-dipentylnaphthalene-1-sulfonic acid
CID 101322538
4,5-di(tetradecyl)naphthalene-1-sulfonic acid
CID 101319199
5,8-di(nonyl)naphthalene-1,2-disulfonic acid
CID 57207242
5,8-dipropylnaphthalene-1-sulfonic acid
CID 101322469
azane;3-dodecyl-2-(2-sulfophenoxy)benzenesulfonic acid
CID 138397206
2-(2-dodecylphenoxy)benzene-1,3-disulfonic acid
CID 101303574
4,5-dibutylnaphthalene-1-sulfonic acid
CID 54390432
sodium 4,8-dihexylnaphthalene-1-sulfonate
CID 23677798
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
5,6-di(nonyl)naphthalene-1-sulfonic acid
CID 101309956
6,7-di(tridecyl)naphthalene-1-sulfonic acid
CID 101319172

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid?
The IUPAC name of 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid (CID 101310381) is 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid?
The canonical SMILES for 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid is CCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)c2c(OC)cccc12.
What is the InChIKey of 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid?
The InChIKey is GVJPDSMJIKQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20-24(30(26,27)28)25-22(21)17-15-18-23(25)29-2/h15,17-20H,3-14,16H2,1-2H3,(H,26,27,28).
What are the key properties of 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid?
8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid has a molecular weight of 434.64 g/mol, XLogP of 7.34, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 101310381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).