2-butyl-3-propan-2-yloxycyclopent-2-en-1-one

C12H20O2 — CID 11241022

IUPAC2-butyl-3-propan-2-yloxycyclopent-2-en-1-one
SMILESCCCCC1=C(OC(C)C)CCC1=O
InChIInChI=1S/C12H20O2/c1-4-5-6-10-11(13)7-8-12(10)14-9(2)3/h9H,4-8H2,1-3H3
InChIKeyMMAAIQISZAIQJH-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds5

About 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one

2-butyl-3-propan-2-yloxycyclopent-2-en-1-one (PubChem CID 11241022) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-butyl-3-propan-2-yloxycyclopent-2-en-1-one
PubChem CID11241022
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-butyl-3-propan-2-yloxycyclopent-2-en-1-one
SMILESCCCCC1=C(OC(C)C)CCC1=O
InChIInChI=1S/C12H20O2/c1-4-5-6-10-11(13)7-8-12(10)14-9(2)3/h9H,4-8H2,1-3H3
InChIKeyMMAAIQISZAIQJH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one?
The IUPAC name of 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one (CID 11241022) is 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one?
The canonical SMILES for 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one is CCCCC1=C(OC(C)C)CCC1=O.
What is the InChIKey of 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one?
The InChIKey is MMAAIQISZAIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-10-11(13)7-8-12(10)14-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one?
2-butyl-3-propan-2-yloxycyclopent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-propan-2-yloxycyclopent-2-en-1-one is sourced from PubChem (CID 11241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).