4-methoxy-4-propyltrioxane;prop-1-ene

C10H20O4 — CID 158915075

IUPAC4-methoxy-4-propyltrioxane;prop-1-ene
SMILESC=CC.CCCC1(OC)CCOOO1
InChIInChI=1S/C7H14O4.C3H6/c1-3-4-7(8-2)5-6-9-11-10-7;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3
InChIKeyJHCZZXNWLASUDD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds3

About 4-methoxy-4-propyltrioxane;prop-1-ene

4-methoxy-4-propyltrioxane;prop-1-ene (PubChem CID 158915075) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-4-propyltrioxane;prop-1-ene.

Molecular Properties

Compound Name4-methoxy-4-propyltrioxane;prop-1-ene
PubChem CID158915075
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-methoxy-4-propyltrioxane;prop-1-ene
SMILESC=CC.CCCC1(OC)CCOOO1
InChIInChI=1S/C7H14O4.C3H6/c1-3-4-7(8-2)5-6-9-11-10-7;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3
InChIKeyJHCZZXNWLASUDD-UHFFFAOYSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Prop-1-enoxypropyl)trioxane
CID 150733781
4-Methoxy-4-propyltrioxane;prop-2-ene-1-thiol
CID 158845060

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propyltrioxane;prop-1-ene?
The IUPAC name of 4-methoxy-4-propyltrioxane;prop-1-ene (CID 158915075) is 4-methoxy-4-propyltrioxane;prop-1-ene.
What is the SMILES notation for 4-methoxy-4-propyltrioxane;prop-1-ene?
The canonical SMILES for 4-methoxy-4-propyltrioxane;prop-1-ene is C=CC.CCCC1(OC)CCOOO1.
What is the InChIKey of 4-methoxy-4-propyltrioxane;prop-1-ene?
The InChIKey is JHCZZXNWLASUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C3H6/c1-3-4-7(8-2)5-6-9-11-10-7;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3.
What are the key properties of 4-methoxy-4-propyltrioxane;prop-1-ene?
4-methoxy-4-propyltrioxane;prop-1-ene has a molecular weight of 204.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propyltrioxane;prop-1-ene is sourced from PubChem (CID 158915075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).