2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane

C11H20O3 — CID 114470383

IUPAC2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane
SMILESC=C(C)CCOCCC1OCCCO1
InChIInChI=1S/C11H20O3/c1-10(2)4-8-12-9-5-11-13-6-3-7-14-11/h11H,1,3-9H2,2H3
InChIKeyPFFBSNFUZHWSSW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds6

About 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane

2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane (PubChem CID 114470383) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane
PubChem CID114470383
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane
SMILESC=C(C)CCOCCC1OCCCO1
InChIInChI=1S/C11H20O3/c1-10(2)4-8-12-9-5-11-13-6-3-7-14-11/h11H,1,3-9H2,2H3
InChIKeyPFFBSNFUZHWSSW-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane (CID 114470383) is 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane is C=C(C)CCOCCC1OCCCO1.
What is the InChIKey of 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane?
The InChIKey is PFFBSNFUZHWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2)4-8-12-9-5-11-13-6-3-7-14-11/h11H,1,3-9H2,2H3.
What are the key properties of 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane?
2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-3-enoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 114470383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).