carbonic acid;3-ethenyldioxane

C7H12O5 — CID 88704545

IUPACcarbonic acid;3-ethenyldioxane
SMILESC=CC1CCCOO1.O=C(O)O
InChIInChI=1S/C6H10O2.CH2O3/c1-2-6-4-3-5-7-8-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4)
InChIKeyFYSOUPXNFSDESB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.51
Rot. Bonds1

About carbonic acid;3-ethenyldioxane

carbonic acid;3-ethenyldioxane (PubChem CID 88704545) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is carbonic acid;3-ethenyldioxane.

Molecular Properties

Compound Namecarbonic acid;3-ethenyldioxane
PubChem CID88704545
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Namecarbonic acid;3-ethenyldioxane
SMILESC=CC1CCCOO1.O=C(O)O
InChIInChI=1S/C6H10O2.CH2O3/c1-2-6-4-3-5-7-8-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4)
InChIKeyFYSOUPXNFSDESB-UHFFFAOYSA-N
XLogP1.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-ethenyldioxane?
The IUPAC name of carbonic acid;3-ethenyldioxane (CID 88704545) is carbonic acid;3-ethenyldioxane.
What is the SMILES notation for carbonic acid;3-ethenyldioxane?
The canonical SMILES for carbonic acid;3-ethenyldioxane is C=CC1CCCOO1.O=C(O)O.
What is the InChIKey of carbonic acid;3-ethenyldioxane?
The InChIKey is FYSOUPXNFSDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.CH2O3/c1-2-6-4-3-5-7-8-6;2-1(3)4/h2,6H,1,3-5H2;(H2,2,3,4).
What are the key properties of carbonic acid;3-ethenyldioxane?
carbonic acid;3-ethenyldioxane has a molecular weight of 176.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-ethenyldioxane is sourced from PubChem (CID 88704545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).