3-methoxy-2,4-dipropylcyclopent-2-en-1-one

C12H20O2 — CID 155294651

IUPAC3-methoxy-2,4-dipropylcyclopent-2-en-1-one
SMILESCCCC1=C(OC)C(CCC)CC1=O
InChIInChI=1S/C12H20O2/c1-4-6-9-8-11(13)10(7-5-2)12(9)14-3/h9H,4-8H2,1-3H3
InChIKeyINIGZQKPNHUFTJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds5

About 3-methoxy-2,4-dipropylcyclopent-2-en-1-one

3-methoxy-2,4-dipropylcyclopent-2-en-1-one (PubChem CID 155294651) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methoxy-2,4-dipropylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2,4-dipropylcyclopent-2-en-1-one
PubChem CID155294651
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-methoxy-2,4-dipropylcyclopent-2-en-1-one
SMILESCCCC1=C(OC)C(CCC)CC1=O
InChIInChI=1S/C12H20O2/c1-4-6-9-8-11(13)10(7-5-2)12(9)14-3/h9H,4-8H2,1-3H3
InChIKeyINIGZQKPNHUFTJ-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dipropylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2,4-dipropylcyclopent-2-en-1-one (CID 155294651) is 3-methoxy-2,4-dipropylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2,4-dipropylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2,4-dipropylcyclopent-2-en-1-one is CCCC1=C(OC)C(CCC)CC1=O.
What is the InChIKey of 3-methoxy-2,4-dipropylcyclopent-2-en-1-one?
The InChIKey is INIGZQKPNHUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-9-8-11(13)10(7-5-2)12(9)14-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-2,4-dipropylcyclopent-2-en-1-one?
3-methoxy-2,4-dipropylcyclopent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dipropylcyclopent-2-en-1-one is sourced from PubChem (CID 155294651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).