2-methylideneoxan-4-one;2-methylpropane

C10H18O2 — CID 123922746

IUPAC2-methylideneoxan-4-one;2-methylpropane
SMILESC=C1CC(=O)CCO1.CC(C)C
InChIInChI=1S/C6H8O2.C4H10/c1-5-4-6(7)2-3-8-5;1-4(2)3/h1-4H2;4H,1-3H3
InChIKeyIBZPUCOBVJXODK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds

About 2-methylideneoxan-4-one;2-methylpropane

2-methylideneoxan-4-one;2-methylpropane (PubChem CID 123922746) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methylideneoxan-4-one;2-methylpropane.

Molecular Properties

Compound Name2-methylideneoxan-4-one;2-methylpropane
PubChem CID123922746
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methylideneoxan-4-one;2-methylpropane
SMILESC=C1CC(=O)CCO1.CC(C)C
InChIInChI=1S/C6H8O2.C4H10/c1-5-4-6(7)2-3-8-5;1-4(2)3/h1-4H2;4H,1-3H3
InChIKeyIBZPUCOBVJXODK-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylideneoxan-4-one
CID 68253845
4-Ethoxy-3-methylpent-4-en-2-one
CID 89803444
2-Methyl-5-(2-methylpropoxy)hex-5-en-3-one
CID 149234302

Frequently Asked Questions

What is the IUPAC name of 2-methylideneoxan-4-one;2-methylpropane?
The IUPAC name of 2-methylideneoxan-4-one;2-methylpropane (CID 123922746) is 2-methylideneoxan-4-one;2-methylpropane.
What is the SMILES notation for 2-methylideneoxan-4-one;2-methylpropane?
The canonical SMILES for 2-methylideneoxan-4-one;2-methylpropane is C=C1CC(=O)CCO1.CC(C)C.
What is the InChIKey of 2-methylideneoxan-4-one;2-methylpropane?
The InChIKey is IBZPUCOBVJXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H10/c1-5-4-6(7)2-3-8-5;1-4(2)3/h1-4H2;4H,1-3H3.
What are the key properties of 2-methylideneoxan-4-one;2-methylpropane?
2-methylideneoxan-4-one;2-methylpropane has a molecular weight of 170.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoxan-4-one;2-methylpropane is sourced from PubChem (CID 123922746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).