2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane

C10H18O3 — CID 151741566

IUPAC2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane
SMILESCC=COC1(C)COC(C)(CC)O1
InChIInChI=1S/C10H18O3/c1-5-7-11-10(4)8-12-9(3,6-2)13-10/h5,7H,6,8H2,1-4H3
InChIKeyRMQMCIFGAJSVBM-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.43
Rot. Bonds3

About 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane

2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane (PubChem CID 151741566) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane
PubChem CID151741566
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane
SMILESCC=COC1(C)COC(C)(CC)O1
InChIInChI=1S/C10H18O3/c1-5-7-11-10(4)8-12-9(3,6-2)13-10/h5,7H,6,8H2,1-4H3
InChIKeyRMQMCIFGAJSVBM-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.43
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

(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
CID 150411058
2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 158988815
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2,5-diethyl-2-methyl-1,3-dioxane-5-carboxylic acid
CID 139962207
2-ethyl-2-methyl-4H-1,3-dioxine
CID 175323270
2,5,5-trimethyl-2-(2-methylbutyl)-1,3-dioxane
CID 129172366
2-ethyl-2,5,5-trimethyl-6H-1,3-oxazine
CID 24976693
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
CID 141395062
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
2-but-2-enyl-2-methyl-1,3-dioxolane
CID 162417486
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane?
The IUPAC name of 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane (CID 151741566) is 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane is CC=COC1(C)COC(C)(CC)O1.
What is the InChIKey of 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane?
The InChIKey is RMQMCIFGAJSVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-7-11-10(4)8-12-9(3,6-2)13-10/h5,7H,6,8H2,1-4H3.
What are the key properties of 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane?
2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane is sourced from PubChem (CID 151741566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).