2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane

C12H22O3 — CID 176604387

IUPAC2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
SMILESC/C=C/OCCCC1(CC)COCCO1
InChIInChI=1S/C12H22O3/c1-3-7-13-8-5-6-12(4-2)11-14-9-10-15-12/h3,7H,4-6,8-11H2,1-2H3/b7-3+
InChIKeyUNSINFZGNWGMSQ-XVNBXDOJSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds6

About 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane (PubChem CID 176604387) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
PubChem CID176604387
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
SMILESC/C=C/OCCCC1(CC)COCCO1
InChIInChI=1S/C12H22O3/c1-3-7-13-8-5-6-12(4-2)11-14-9-10-15-12/h3,7H,4-6,8-11H2,1-2H3/b7-3+
InChIKeyUNSINFZGNWGMSQ-XVNBXDOJSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.51
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'}

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Related Compounds

2-Methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 150894005
2,3,3,5,5,6-Hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 151934074
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
5-(3-But-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
CID 152536600
2,2,3-Trimethoxy-3-(3-prop-1-enoxypropyl)oxane
CID 152537672
4-Ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
CID 175329752
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176605128
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dioxane
CID 176605139
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176605297
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605438

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane (CID 176604387) is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The canonical SMILES for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane is C/C=C/OCCCC1(CC)COCCO1.
What is the InChIKey of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The InChIKey is UNSINFZGNWGMSQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-13-8-5-6-12(4-2)11-14-9-10-15-12/h3,7H,4-6,8-11H2,1-2H3/b7-3+.
What are the key properties of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane has a molecular weight of 214.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane is sourced from PubChem (CID 176604387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).