2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane

C15H28O2 — CID 70821701

IUPAC2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane
SMILESCCCCC1OC(C=C(C)C)CC(C(C)C)O1
InChIInChI=1S/C15H28O2/c1-6-7-8-15-16-13(9-11(2)3)10-14(17-15)12(4)5/h9,12-15H,6-8,10H2,1-5H3
InChIKeyWQFINUFEZYKMNB-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds5

About 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane

2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane (PubChem CID 70821701) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane
PubChem CID70821701
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane
SMILESCCCCC1OC(C=C(C)C)CC(C(C)C)O1
InChIInChI=1S/C15H28O2/c1-6-7-8-15-16-13(9-11(2)3)10-14(17-15)12(4)5/h9,12-15H,6-8,10H2,1-5H3
InChIKeyWQFINUFEZYKMNB-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
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-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane (CID 70821701) is 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane is CCCCC1OC(C=C(C)C)CC(C(C)C)O1.
What is the InChIKey of 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane?
The InChIKey is WQFINUFEZYKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-7-8-15-16-13(9-11(2)3)10-14(17-15)12(4)5/h9,12-15H,6-8,10H2,1-5H3.
What are the key properties of 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane?
2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 70821701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).