2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane

C11H20O3 — CID 150159408

IUPAC2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1COC(CC)(CC)O1
InChIInChI=1S/C11H20O3/c1-4-7-12-8-10-9-13-11(5-2,6-3)14-10/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyFGXZPTBOZHFUTH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds5

About 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane

2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (PubChem CID 150159408) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
PubChem CID150159408
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1COC(CC)(CC)O1
InChIInChI=1S/C11H20O3/c1-4-7-12-8-10-9-13-11(5-2,6-3)14-10/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyFGXZPTBOZHFUTH-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
4-[(Allylselanyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 134813926
1-[(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methoxy]prop-2-ene
CID 4623933
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813
2-Methyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane
CID 12496852
(2-Oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate
CID 54354924
3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
1,3-Diethoxy-2,2-bis(prop-1-enoxy)pentane
CID 54513864
2,2-Dimethyl-4-{[(prop-1-en-2-yl)oxy]methyl}-1,3-dioxolane
CID 59715552
4-methyl-1,3-dioxolan-2-one;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
CID 67527222
4-Methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene
CID 67527223

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (CID 150159408) is 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is CC=COCC1COC(CC)(CC)O1.
What is the InChIKey of 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The InChIKey is FGXZPTBOZHFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-7-12-8-10-9-13-11(5-2,6-3)14-10/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane has a molecular weight of 200.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 150159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).