2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane

C9H16O3 — CID 176604203

IUPAC2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1(C)COCCO1
InChIInChI=1S/C9H16O3/c1-3-4-10-7-9(2)8-11-5-6-12-9/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyDZFRFGGEPRWMFY-ONEGZZNKSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane

2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (PubChem CID 176604203) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
PubChem CID176604203
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1(C)COCCO1
InChIInChI=1S/C9H16O3/c1-3-4-10-7-9(2)8-11-5-6-12-9/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyDZFRFGGEPRWMFY-ONEGZZNKSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
2-Methyl-2-(2-prop-1-enoxyethoxy)propane
CID 139983712
2-Methyl-1,2-bis(prop-1-enoxy)propane
CID 139984961
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176603110
2-(2-Methylprop-1-enoxymethyl)-1,4-dioxane
CID 176603486
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176604278
2-(Ethenoxymethyl)-2-methyl-1,4-dioxane
CID 176604466
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604558
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176604787
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604951
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176605039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (CID 176604203) is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The canonical SMILES for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is C/C=C/OCC1(C)COCCO1.
What is the InChIKey of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The InChIKey is DZFRFGGEPRWMFY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-10-7-9(2)8-11-5-6-12-9/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is sourced from PubChem (CID 176604203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).