1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one

C13H20O2 — CID 152586004

IUPAC1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
SMILESCOC1(C(=O)CC(C)C)C(C)=CC=C1C
InChIInChI=1S/C13H20O2/c1-9(2)8-12(14)13(15-5)10(3)6-7-11(13)4/h6-7,9H,8H2,1-5H3
InChIKeyYULTZAKROABJBV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one

1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one (PubChem CID 152586004) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
PubChem CID152586004
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
SMILESCOC1(C(=O)CC(C)C)C(C)=CC=C1C
InChIInChI=1S/C13H20O2/c1-9(2)8-12(14)13(15-5)10(3)6-7-11(13)4/h6-7,9H,8H2,1-5H3
InChIKeyYULTZAKROABJBV-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
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1-(1-Methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
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1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149660976
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)decan-1-one
CID 149661448
1-(1-Methoxy-2,3,5-trimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 149727985
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 149855314
1-(1-Methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 150206166
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-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-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one (CID 152586004) is 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one is COC1(C(=O)CC(C)C)C(C)=CC=C1C.
What is the InChIKey of 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one?
The InChIKey is YULTZAKROABJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)8-12(14)13(15-5)10(3)6-7-11(13)4/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one?
1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 152586004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).