2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane

C14H26O2 — CID 167099102

IUPAC2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane
SMILESC=C(C)C(C)CC1(CC)OCC(C)(C)CO1
InChIInChI=1S/C14H26O2/c1-7-14(8-12(4)11(2)3)15-9-13(5,6)10-16-14/h12H,2,7-10H2,1,3-6H3
InChIKeyDCOGYCWTHJVMMQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.77
Rot. Bonds4

About 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane

2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane (PubChem CID 167099102) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane
PubChem CID167099102
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane
SMILESC=C(C)C(C)CC1(CC)OCC(C)(C)CO1
InChIInChI=1S/C14H26O2/c1-7-14(8-12(4)11(2)3)15-9-13(5,6)10-16-14/h12H,2,7-10H2,1,3-6H3
InChIKeyDCOGYCWTHJVMMQ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane (CID 167099102) is 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane is C=C(C)C(C)CC1(CC)OCC(C)(C)CO1.
What is the InChIKey of 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The InChIKey is DCOGYCWTHJVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-14(8-12(4)11(2)3)15-9-13(5,6)10-16-14/h12H,2,7-10H2,1,3-6H3.
What are the key properties of 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 167099102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).