2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane

C12H22O3 — CID 150949815

IUPAC2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane
SMILESCC=COCCCC1COC(C)(CC)O1
InChIInChI=1S/C12H22O3/c1-4-8-13-9-6-7-11-10-14-12(3,5-2)15-11/h4,8,11H,5-7,9-10H2,1-3H3
InChIKeyLJVXEHYQJXAVLR-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.86
Rot. Bonds6

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

2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane (PubChem CID 150949815) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane
PubChem CID150949815
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane
SMILESCC=COCCCC1COC(C)(CC)O1
InChIInChI=1S/C12H22O3/c1-4-8-13-9-6-7-11-10-14-12(3,5-2)15-11/h4,8,11H,5-7,9-10H2,1-3H3
InChIKeyLJVXEHYQJXAVLR-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-(Prop-1-enoxymethyl)oxolane
CID 118967351
(2Z)-2-ethylidene-4-[[(2E)-2-ethylidene-1,3-dioxolan-4-yl]-methoxymethyl]-1,3-dioxolane
CID 146237133
(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane
CID 146237136
2,2-Diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 150159408
2-Ethyl-2-methyl-4-(2-prop-1-enoxyethyl)-1,3-dioxolane
CID 152263285
2-Ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane
CID 152501285
2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176604023

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane (CID 150949815) is 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane is CC=COCCCC1COC(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane?
The InChIKey is LJVXEHYQJXAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-8-13-9-6-7-11-10-14-12(3,5-2)15-11/h4,8,11H,5-7,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane?
2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane has a molecular weight of 214.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane is sourced from PubChem (CID 150949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).