5-methyl-5-prop-1-en-2-yl-1,3-dioxane

C8H14O2 — CID 14685702

IUPAC5-methyl-5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1(C)COCOC1
InChIInChI=1S/C8H14O2/c1-7(2)8(3)4-9-6-10-5-8/h1,4-6H2,2-3H3
InChIKeyBXLSMYDYWDXIQP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds1

About 5-methyl-5-prop-1-en-2-yl-1,3-dioxane

5-methyl-5-prop-1-en-2-yl-1,3-dioxane (PubChem CID 14685702) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methyl-5-prop-1-en-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-5-prop-1-en-2-yl-1,3-dioxane
PubChem CID14685702
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-methyl-5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1(C)COCOC1
InChIInChI=1S/C8H14O2/c1-7(2)8(3)4-9-6-10-5-8/h1,4-6H2,2-3H3
InChIKeyBXLSMYDYWDXIQP-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
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

1,3-Dioxane, 5-(1-methylethenyl)-
CID 14685703
5,5-Dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
CID 56635337
5-Methyl-5-prop-1-en-2-yl-1,3-dioxan-2-one
CID 68353447
(5-Ethyl-1,3-dioxan-5-yl)methanol;2-(hydroxymethyl)-2-prop-1-en-2-ylpropane-1,3-diol
CID 68492157
5-Ethyl-5-prop-1-en-2-yl-1,3-dioxane
CID 89146998
5-But-1-en-2-yl-5-methyl-1,3-dioxan-2-one
CID 118000166
2-[2-(3-Methylbut-3-enoxy)ethyl]-1,3-dioxane
CID 114470383

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-prop-1-en-2-yl-1,3-dioxane?
The IUPAC name of 5-methyl-5-prop-1-en-2-yl-1,3-dioxane (CID 14685702) is 5-methyl-5-prop-1-en-2-yl-1,3-dioxane.
What is the SMILES notation for 5-methyl-5-prop-1-en-2-yl-1,3-dioxane?
The canonical SMILES for 5-methyl-5-prop-1-en-2-yl-1,3-dioxane is C=C(C)C1(C)COCOC1.
What is the InChIKey of 5-methyl-5-prop-1-en-2-yl-1,3-dioxane?
The InChIKey is BXLSMYDYWDXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)8(3)4-9-6-10-5-8/h1,4-6H2,2-3H3.
What are the key properties of 5-methyl-5-prop-1-en-2-yl-1,3-dioxane?
5-methyl-5-prop-1-en-2-yl-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-prop-1-en-2-yl-1,3-dioxane is sourced from PubChem (CID 14685702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).