1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one

C11H16O2 — CID 154300279

IUPAC1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one
SMILESCCCC(=O)C1(OC)C=CC=C1C
InChIInChI=1S/C11H16O2/c1-4-6-10(12)11(13-3)8-5-7-9(11)2/h5,7-8H,4,6H2,1-3H3
InChIKeyMVJZYFRHZKMPBJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one

1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one (PubChem CID 154300279) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one
PubChem CID154300279
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one
SMILESCCCC(=O)C1(OC)C=CC=C1C
InChIInChI=1S/C11H16O2/c1-4-6-10(12)11(13-3)8-5-7-9(11)2/h5,7-8H,4,6H2,1-3H3
InChIKeyMVJZYFRHZKMPBJ-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
1-(1-Methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
CID 141182026
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)decan-1-one
CID 149661448
1-(1-Methoxycyclopenta-2,4-dien-1-yl)-2-methylpropan-1-one
CID 149679425
1-(1-Methoxy-2,3,5-trimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 149727985
1-(1-Methoxycyclopenta-2,4-dien-1-yl)nonan-1-one
CID 149858010
Cyclopropyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
CID 150350050
1-(1-Methoxycyclopenta-2,4-dien-1-yl)hexan-1-one
CID 150558288
1-(1-Methoxycyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
CID 150559303
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)hexan-1-one
CID 150570549
1-(1-Methoxycyclopenta-2,4-dien-1-yl)propan-1-one
CID 150663115
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 150739793

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one?
The IUPAC name of 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one (CID 154300279) is 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one.
What is the SMILES notation for 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one?
The canonical SMILES for 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one is CCCC(=O)C1(OC)C=CC=C1C.
What is the InChIKey of 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one?
The InChIKey is MVJZYFRHZKMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-6-10(12)11(13-3)8-5-7-9(11)2/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one?
1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one is sourced from PubChem (CID 154300279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).