2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane

C11H20O3 — CID 150894005

IUPAC2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
SMILESCC=COCCCC1(C)COCCO1
InChIInChI=1S/C11H20O3/c1-3-6-12-7-4-5-11(2)10-13-8-9-14-11/h3,6H,4-5,7-10H2,1-2H3
InChIKeyKYPJPNKEDWXXRZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane

2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane (PubChem CID 150894005) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
PubChem CID150894005
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
SMILESCC=COCCCC1(C)COCCO1
InChIInChI=1S/C11H20O3/c1-3-6-12-7-4-5-11(2)10-13-8-9-14-11/h3,6H,4-5,7-10H2,1-2H3
InChIKeyKYPJPNKEDWXXRZ-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-But-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
CID 152536600
But-1-ene;5-(3-methoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
CID 161926505
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603819
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387
2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604455
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604558
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176605128
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The IUPAC name of 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane (CID 150894005) is 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The canonical SMILES for 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane is CC=COCCCC1(C)COCCO1.
What is the InChIKey of 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The InChIKey is KYPJPNKEDWXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-6-12-7-4-5-11(2)10-13-8-9-14-11/h3,6H,4-5,7-10H2,1-2H3.
What are the key properties of 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane is sourced from PubChem (CID 150894005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).