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

C13H24O3 — CID 152501285

IUPAC2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane
SMILESCC=COCCCCC1COC(C)(CC)O1
InChIInChI=1S/C13H24O3/c1-4-9-14-10-7-6-8-12-11-15-13(3,5-2)16-12/h4,9,12H,5-8,10-11H2,1-3H3
InChIKeyYDNDQSWWTUSCMK-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.25
Rot. Bonds7

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

2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane (PubChem CID 152501285) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane
PubChem CID152501285
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane
SMILESCC=COCCCCC1COC(C)(CC)O1
InChIInChI=1S/C13H24O3/c1-4-9-14-10-7-6-8-12-11-15-13(3,5-2)16-12/h4,9,12H,5-8,10-11H2,1-3H3
InChIKeyYDNDQSWWTUSCMK-UHFFFAOYSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.25
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

2,2-Dimethyl-4-(4-prop-2-enoxybutyl)-1,3-dioxolane
CID 11820564
2-Ethyl-2-methyl-4-(3-prop-1-enoxypropyl)-1,3-dioxolane
CID 150949815
2-Methyl-2-(4-prop-2-enoxybutyl)-1,3-dioxolane
CID 175191565
2-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604239
(3S)-3-[[(Z)-prop-1-enoxy]methyl]-1,4-dioxaspiro[4.5]decane
CID 102000893

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane (CID 152501285) is 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane is CC=COCCCCC1COC(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane?
The InChIKey is YDNDQSWWTUSCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-9-14-10-7-6-8-12-11-15-13(3,5-2)16-12/h4,9,12H,5-8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane?
2-ethyl-2-methyl-4-(4-prop-1-enoxybutyl)-1,3-dioxolane has a molecular weight of 228.33 g/mol, XLogP of 3.25, 7 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-(4-prop-1-enoxybutyl)-1,3-dioxolane is sourced from PubChem (CID 152501285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).