1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one

C14H22O2 — CID 67369844

IUPAC1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1C(C)=CC=C1CCOC
InChIInChI=1S/C14H22O2/c1-4-5-6-13(15)14-11(2)7-8-12(14)9-10-16-3/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyYMCFDPPODSMRHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds7

About 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one

1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one (PubChem CID 67369844) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one
PubChem CID67369844
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1C(C)=CC=C1CCOC
InChIInChI=1S/C14H22O2/c1-4-5-6-13(15)14-11(2)7-8-12(14)9-10-16-3/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyYMCFDPPODSMRHZ-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one (CID 67369844) is 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one is CCCCC(=O)C1C(C)=CC=C1CCOC.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The InChIKey is YMCFDPPODSMRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-6-13(15)14-11(2)7-8-12(14)9-10-16-3/h7-8,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one?
1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one is sourced from PubChem (CID 67369844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).