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

C13H20O2 — CID 67428932

IUPAC1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
SMILESCCCCC(=O)C(OC)C1C=CC=C1C
InChIInChI=1S/C13H20O2/c1-4-5-9-12(14)13(15-3)11-8-6-7-10(11)2/h6-8,11,13H,4-5,9H2,1-3H3
InChIKeyAYUATGGJQMZIRR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds6

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

1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one (PubChem CID 67428932) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one.

Molecular Properties

Compound Name1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
PubChem CID67428932
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
SMILESCCCCC(=O)C(OC)C1C=CC=C1C
InChIInChI=1S/C13H20O2/c1-4-5-9-12(14)13(15-3)11-8-6-7-10(11)2/h6-8,11,13H,4-5,9H2,1-3H3
InChIKeyAYUATGGJQMZIRR-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-7-oxabicyclo[4.3.1]deca-3,8-dien-10-one
CID 13031662
(7E,9S)-6-methylidene-9-propan-2-yl-11-oxabicyclo[8.1.0]undec-7-en-2-one
CID 22838704
(9S)-6-methylidene-9-propan-2-yl-11-oxabicyclo[8.1.0]undec-7-en-2-one
CID 57318693
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-2-methylpropan-1-one
CID 67368131
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368362
1-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368946
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368966
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369062
1-(Cyclopenta-2,4-dien-1-ylmethoxy)-5-methylhexan-2-one
CID 67369070
1-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]-4-methylpentan-1-one
CID 67369833
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67369844
1-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67370018

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The IUPAC name of 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one (CID 67428932) is 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one.
What is the SMILES notation for 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The canonical SMILES for 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one is CCCCC(=O)C(OC)C1C=CC=C1C.
What is the InChIKey of 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The InChIKey is AYUATGGJQMZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-9-12(14)13(15-3)11-8-6-7-10(11)2/h6-8,11,13H,4-5,9H2,1-3H3.
What are the key properties of 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one is sourced from PubChem (CID 67428932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).