methane;3-prop-2-enoxyprop-1-ene;sulfuric acid

C7H16O5S — CID 87964358

IUPACmethane;3-prop-2-enoxyprop-1-ene;sulfuric acid
SMILESC.C=CCOCC=C.O=S(=O)(O)O
InChIInChI=1S/C6H10O.CH4.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;1H4;(H2,1,2,3,4)
InChIKeyMXAHYTZKNDTASV-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.36
Rot. Bonds4

About methane;3-prop-2-enoxyprop-1-ene;sulfuric acid

methane;3-prop-2-enoxyprop-1-ene;sulfuric acid (PubChem CID 87964358) has the molecular formula C7H16O5S and a molecular weight of 212.27 g/mol. Its IUPAC name is methane;3-prop-2-enoxyprop-1-ene;sulfuric acid.

Molecular Properties

Compound Namemethane;3-prop-2-enoxyprop-1-ene;sulfuric acid
PubChem CID87964358
Molecular FormulaC7H16O5S
Molecular Weight212.27 g/mol
Exact Mass212.07
IUPAC Namemethane;3-prop-2-enoxyprop-1-ene;sulfuric acid
SMILESC.C=CCOCC=C.O=S(=O)(O)O
InChIInChI=1S/C6H10O.CH4.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;1H4;(H2,1,2,3,4)
InChIKeyMXAHYTZKNDTASV-UHFFFAOYSA-N
XLogP1.36
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;3-prop-2-enoxyprop-1-ene;sulfuric acid?
The IUPAC name of methane;3-prop-2-enoxyprop-1-ene;sulfuric acid (CID 87964358) is methane;3-prop-2-enoxyprop-1-ene;sulfuric acid.
What is the SMILES notation for methane;3-prop-2-enoxyprop-1-ene;sulfuric acid?
The canonical SMILES for methane;3-prop-2-enoxyprop-1-ene;sulfuric acid is C.C=CCOCC=C.O=S(=O)(O)O.
What is the InChIKey of methane;3-prop-2-enoxyprop-1-ene;sulfuric acid?
The InChIKey is MXAHYTZKNDTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.CH4.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;1H4;(H2,1,2,3,4).
What are the key properties of methane;3-prop-2-enoxyprop-1-ene;sulfuric acid?
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid has a molecular weight of 212.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-prop-2-enoxyprop-1-ene;sulfuric acid is sourced from PubChem (CID 87964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).