2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane

C12H22O3 — CID 89471850

IUPAC2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane
SMILESC=CCOCC1COC(CC)(CCC)O1
InChIInChI=1S/C12H22O3/c1-4-7-12(6-3)14-10-11(15-12)9-13-8-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyNQQCTRBHWXTOPI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds7

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

2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane (PubChem CID 89471850) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane
PubChem CID89471850
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane
SMILESC=CCOCC1COC(CC)(CCC)O1
InChIInChI=1S/C12H22O3/c1-4-7-12(6-3)14-10-11(15-12)9-13-8-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyNQQCTRBHWXTOPI-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': '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-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane (CID 89471850) is 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane is C=CCOCC1COC(CC)(CCC)O1.
What is the InChIKey of 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane?
The InChIKey is NQQCTRBHWXTOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-7-12(6-3)14-10-11(15-12)9-13-8-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane?
2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane has a molecular weight of 214.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 89471850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).