6-methylidene-3-propan-2-yloxan-2-one

C9H14O2 — CID 14952533

IUPAC6-methylidene-3-propan-2-yloxan-2-one
SMILESC=C1CCC(C(C)C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-6(2)8-5-4-7(3)11-9(8)10/h6,8H,3-5H2,1-2H3
InChIKeyZITGLSYHTRWQAQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.11
Rot. Bonds1

About 6-methylidene-3-propan-2-yloxan-2-one

6-methylidene-3-propan-2-yloxan-2-one (PubChem CID 14952533) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methylidene-3-propan-2-yloxan-2-one.

Molecular Properties

Compound Name6-methylidene-3-propan-2-yloxan-2-one
PubChem CID14952533
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-methylidene-3-propan-2-yloxan-2-one
SMILESC=C1CCC(C(C)C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-6(2)8-5-4-7(3)11-9(8)10/h6,8H,3-5H2,1-2H3
InChIKeyZITGLSYHTRWQAQ-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-propan-2-yloxan-2-one?
The IUPAC name of 6-methylidene-3-propan-2-yloxan-2-one (CID 14952533) is 6-methylidene-3-propan-2-yloxan-2-one.
What is the SMILES notation for 6-methylidene-3-propan-2-yloxan-2-one?
The canonical SMILES for 6-methylidene-3-propan-2-yloxan-2-one is C=C1CCC(C(C)C)C(=O)O1.
What is the InChIKey of 6-methylidene-3-propan-2-yloxan-2-one?
The InChIKey is ZITGLSYHTRWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)8-5-4-7(3)11-9(8)10/h6,8H,3-5H2,1-2H3.
What are the key properties of 6-methylidene-3-propan-2-yloxan-2-one?
6-methylidene-3-propan-2-yloxan-2-one has a molecular weight of 154.21 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 6-methylidene-3-propan-2-yloxan-2-one is sourced from PubChem (CID 14952533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).