3-methoxy-2-propan-2-ylcyclopent-2-en-1-one

C9H14O2 — CID 130026885

IUPAC3-methoxy-2-propan-2-ylcyclopent-2-en-1-one
SMILESCOC1=C(C(C)C)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-6(2)9-7(10)4-5-8(9)11-3/h6H,4-5H2,1-3H3
InChIKeyISVVSJDALNPYRK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one

3-methoxy-2-propan-2-ylcyclopent-2-en-1-one (PubChem CID 130026885) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylcyclopent-2-en-1-one
PubChem CID130026885
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-methoxy-2-propan-2-ylcyclopent-2-en-1-one
SMILESCOC1=C(C(C)C)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-6(2)9-7(10)4-5-8(9)11-3/h6H,4-5H2,1-3H3
InChIKeyISVVSJDALNPYRK-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one (CID 130026885) is 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one is COC1=C(C(C)C)C(=O)CC1.
What is the InChIKey of 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is ISVVSJDALNPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)9-7(10)4-5-8(9)11-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one?
3-methoxy-2-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 130026885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).