1-pentylnaphthalene;sulfuric acid

C15H20O4S — CID 172842201

IUPAC1-pentylnaphthalene;sulfuric acid
SMILESCCCCCc1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C15H18.H2O4S/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14;1-5(2,3)4/h5-7,9-12H,2-4,8H2,1H3;(H2,1,2,3,4)
InChIKeyWYCASBHJZXNOEX-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.92
Rot. Bonds4

About 1-pentylnaphthalene;sulfuric acid

1-pentylnaphthalene;sulfuric acid (PubChem CID 172842201) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-pentylnaphthalene;sulfuric acid.

Molecular Properties

Compound Name1-pentylnaphthalene;sulfuric acid
PubChem CID172842201
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Name1-pentylnaphthalene;sulfuric acid
SMILESCCCCCc1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C15H18.H2O4S/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14;1-5(2,3)4/h5-7,9-12H,2-4,8H2,1H3;(H2,1,2,3,4)
InChIKeyWYCASBHJZXNOEX-UHFFFAOYSA-N
XLogP3.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-nonylnaphthalene;sulfuric acid
CID 154996092
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900
1-tetradecylnaphthalene
CID 14402128
potassium;hydride;1-octylnaphthalene
CID 173443599
1-butylnaphthalene;ethane
CID 142087052
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
azane;1-butylnaphthalene;methane
CID 174691035
3,5-dihexylnaphthalene-2-sulfonic acid
CID 101319397

Frequently Asked Questions

What is the IUPAC name of 1-pentylnaphthalene;sulfuric acid?
The IUPAC name of 1-pentylnaphthalene;sulfuric acid (CID 172842201) is 1-pentylnaphthalene;sulfuric acid.
What is the SMILES notation for 1-pentylnaphthalene;sulfuric acid?
The canonical SMILES for 1-pentylnaphthalene;sulfuric acid is CCCCCc1cccc2ccccc12.O=S(=O)(O)O.
What is the InChIKey of 1-pentylnaphthalene;sulfuric acid?
The InChIKey is WYCASBHJZXNOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.H2O4S/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14;1-5(2,3)4/h5-7,9-12H,2-4,8H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-pentylnaphthalene;sulfuric acid?
1-pentylnaphthalene;sulfuric acid has a molecular weight of 296.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylnaphthalene;sulfuric acid is sourced from PubChem (CID 172842201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).