4-butyl-4-propyltrioxane

C10H20O3 — CID 150377371

IUPAC4-butyl-4-propyltrioxane
SMILESCCCCC1(CCC)CCOOO1
InChIInChI=1S/C10H20O3/c1-3-5-7-10(6-4-2)8-9-11-13-12-10/h3-9H2,1-2H3
InChIKeyGYZJICDTTOTQEE-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds5

About 4-butyl-4-propyltrioxane

4-butyl-4-propyltrioxane (PubChem CID 150377371) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-butyl-4-propyltrioxane.

Molecular Properties

Compound Name4-butyl-4-propyltrioxane
PubChem CID150377371
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-butyl-4-propyltrioxane
SMILESCCCCC1(CCC)CCOOO1
InChIInChI=1S/C10H20O3/c1-3-5-7-10(6-4-2)8-9-11-13-12-10/h3-9H2,1-2H3
InChIKeyGYZJICDTTOTQEE-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
2-hexyl-2-propyloxirane
CID 139691135
N-ethyl-2-(2-propyloxetan-2-yl)ethanamine
CID 174328043
2-butyl-2-ethyloxolane;methane
CID 159867268
3-undecyldioxolan-3-ol
CID 88690671
2-butyl-2-methyloxane
CID 13494550
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-butyl-2-ethylmorpholin-4-ium chloride
CID 171634137
(2-propyloxan-2-yl)methanol
CID 130609944
4-butyl-4-ethyloxane
CID 89395620
4-butyloxan-4-ol
CID 65145508

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-propyltrioxane?
The IUPAC name of 4-butyl-4-propyltrioxane (CID 150377371) is 4-butyl-4-propyltrioxane.
What is the SMILES notation for 4-butyl-4-propyltrioxane?
The canonical SMILES for 4-butyl-4-propyltrioxane is CCCCC1(CCC)CCOOO1.
What is the InChIKey of 4-butyl-4-propyltrioxane?
The InChIKey is GYZJICDTTOTQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-7-10(6-4-2)8-9-11-13-12-10/h3-9H2,1-2H3.
What are the key properties of 4-butyl-4-propyltrioxane?
4-butyl-4-propyltrioxane has a molecular weight of 188.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-propyltrioxane is sourced from PubChem (CID 150377371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).