1-propan-2-ylnaphthalene;sulfuric acid

C13H16O4S — CID 70424781

IUPAC1-propan-2-ylnaphthalene;sulfuric acid
SMILESCC(C)c1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C13H14.H2O4S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4)
InChIKeyZHGDPPPNNXTFJZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.31
Rot. Bonds1

About 1-propan-2-ylnaphthalene;sulfuric acid

1-propan-2-ylnaphthalene;sulfuric acid (PubChem CID 70424781) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-propan-2-ylnaphthalene;sulfuric acid.

Molecular Properties

Compound Name1-propan-2-ylnaphthalene;sulfuric acid
PubChem CID70424781
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name1-propan-2-ylnaphthalene;sulfuric acid
SMILESCC(C)c1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C13H14.H2O4S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4)
InChIKeyZHGDPPPNNXTFJZ-UHFFFAOYSA-N
XLogP3.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
ethane;methane;1-propan-2-ylnaphthalene
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butane;1-propan-2-ylnaphthalene
CID 157253186
1-propan-2-ylphenanthrene
CID 12628671
naphthalene;sulfuric acid
CID 69493753
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
2,6-di(propan-2-yl)benzenesulfonic acid
CID 18935127

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylnaphthalene;sulfuric acid?
The IUPAC name of 1-propan-2-ylnaphthalene;sulfuric acid (CID 70424781) is 1-propan-2-ylnaphthalene;sulfuric acid.
What is the SMILES notation for 1-propan-2-ylnaphthalene;sulfuric acid?
The canonical SMILES for 1-propan-2-ylnaphthalene;sulfuric acid is CC(C)c1cccc2ccccc12.O=S(=O)(O)O.
What is the InChIKey of 1-propan-2-ylnaphthalene;sulfuric acid?
The InChIKey is ZHGDPPPNNXTFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.H2O4S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-propan-2-ylnaphthalene;sulfuric acid?
1-propan-2-ylnaphthalene;sulfuric acid has a molecular weight of 268.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylnaphthalene;sulfuric acid is sourced from PubChem (CID 70424781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).