2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane

C11H20O2 — CID 141369953

IUPAC2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane
SMILESCCC1(C)OCC(C(C)=C(C)C)O1
InChIInChI=1S/C11H20O2/c1-6-11(5)12-7-10(13-11)9(4)8(2)3/h10H,6-7H2,1-5H3
InChIKeyFLZTXMNUGVTVPI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds2

About 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane

2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane (PubChem CID 141369953) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane
PubChem CID141369953
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane
SMILESCCC1(C)OCC(C(C)=C(C)C)O1
InChIInChI=1S/C11H20O2/c1-6-11(5)12-7-10(13-11)9(4)8(2)3/h10H,6-7H2,1-5H3
InChIKeyFLZTXMNUGVTVPI-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
5-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)oxolane-2,3-diol
CID 123450262
bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809
(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 57103772
4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine
CID 13264215
5-butan-2-yl-2-ethyl-2-methyl-1,3-dioxane
CID 89076533
1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
CID 67003798
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165341124

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane (CID 141369953) is 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane is CCC1(C)OCC(C(C)=C(C)C)O1.
What is the InChIKey of 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane?
The InChIKey is FLZTXMNUGVTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-11(5)12-7-10(13-11)9(4)8(2)3/h10H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane?
2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 141369953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).