(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane

C9H16O2 — CID 138632960

IUPAC(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane
SMILESCC/C(C)=C1\OCCOC1C
InChIInChI=1S/C9H16O2/c1-4-7(2)9-8(3)10-5-6-11-9/h8H,4-6H2,1-3H3/b9-7-
InChIKeyIYPNGPPVDWNTCG-CLFYSBASSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds1

About (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane

(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane (PubChem CID 138632960) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane.

Molecular Properties

Compound Name(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane
PubChem CID138632960
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane
SMILESCC/C(C)=C1\OCCOC1C
InChIInChI=1S/C9H16O2/c1-4-7(2)9-8(3)10-5-6-11-9/h8H,4-6H2,1-3H3/b9-7-
InChIKeyIYPNGPPVDWNTCG-CLFYSBASSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane?
The IUPAC name of (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane (CID 138632960) is (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane.
What is the SMILES notation for (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane?
The canonical SMILES for (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane is CC/C(C)=C1\OCCOC1C.
What is the InChIKey of (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane?
The InChIKey is IYPNGPPVDWNTCG-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-7(2)9-8(3)10-5-6-11-9/h8H,4-6H2,1-3H3/b9-7-.
What are the key properties of (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane?
(2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-butan-2-ylidene-3-methyl-1,4-dioxane is sourced from PubChem (CID 138632960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).