formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid

C14H16O5S — CID 70221186

IUPACformaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
SMILESC=CCc1cccc2ccccc12.C=O.O=S(=O)(O)O
InChIInChI=1S/C13H12.CH2O.H2O4S/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2;1-5(2,3)4/h2-5,7-10H,1,6H2;1H2;(H2,1,2,3,4)
InChIKeyLPKHRCSPLKVJIE-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.73
Rot. Bonds2

About formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid

formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid (PubChem CID 70221186) has the molecular formula C14H16O5S and a molecular weight of 296.34 g/mol. Its IUPAC name is formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid.

Molecular Properties

Compound Nameformaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
PubChem CID70221186
Molecular FormulaC14H16O5S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Nameformaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
SMILESC=CCc1cccc2ccccc12.C=O.O=S(=O)(O)O
InChIInChI=1S/C13H12.CH2O.H2O4S/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2;1-5(2,3)4/h2-5,7-10H,1,6H2;1H2;(H2,1,2,3,4)
InChIKeyLPKHRCSPLKVJIE-UHFFFAOYSA-N
XLogP2.73
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
1-prop-2-enyltetracene
CID 162689403
formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene
CID 174896906
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-naphthalen-1-ylacetaldehyde
CID 12570786
3,5-bis(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984848
1-ethylnaphthalene;prop-2-ene-1-sulfonyl chloride
CID 174651228
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid?
The IUPAC name of formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid (CID 70221186) is formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid.
What is the SMILES notation for formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid?
The canonical SMILES for formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid is C=CCc1cccc2ccccc12.C=O.O=S(=O)(O)O.
What is the InChIKey of formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid?
The InChIKey is LPKHRCSPLKVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.CH2O.H2O4S/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2;1-5(2,3)4/h2-5,7-10H,1,6H2;1H2;(H2,1,2,3,4).
What are the key properties of formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid?
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid has a molecular weight of 296.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid is sourced from PubChem (CID 70221186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).