4-butyl-3-methoxycyclopent-2-en-1-one

C10H16O2 — CID 573931

IUPAC4-butyl-3-methoxycyclopent-2-en-1-one
SMILESCCCCC1CC(=O)C=C1OC
InChIInChI=1S/C10H16O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h7-8H,3-6H2,1-2H3
InChIKeyYGPGZMVBIIDPBB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds4

About 4-butyl-3-methoxycyclopent-2-en-1-one

4-butyl-3-methoxycyclopent-2-en-1-one (PubChem CID 573931) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-butyl-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-butyl-3-methoxycyclopent-2-en-1-one
PubChem CID573931
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-butyl-3-methoxycyclopent-2-en-1-one
SMILESCCCCC1CC(=O)C=C1OC
InChIInChI=1S/C10H16O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h7-8H,3-6H2,1-2H3
InChIKeyYGPGZMVBIIDPBB-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 4-butyl-3-methoxycyclopent-2-en-1-one (CID 573931) is 4-butyl-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 4-butyl-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 4-butyl-3-methoxycyclopent-2-en-1-one is CCCCC1CC(=O)C=C1OC.
What is the InChIKey of 4-butyl-3-methoxycyclopent-2-en-1-one?
The InChIKey is YGPGZMVBIIDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-butyl-3-methoxycyclopent-2-en-1-one?
4-butyl-3-methoxycyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 573931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).