1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one

C15H24O2 — CID 67369064

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1(C(=O)CC(C)(C)C)C(C)=CC=C1C
InChIInChI=1S/C15H24O2/c1-11-7-8-12(2)15(11,10-17-6)13(16)9-14(3,4)5/h7-8H,9-10H2,1-6H3
InChIKeySRPNNYIHIGORGV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.53
Rot. Bonds4

About 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one

1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 67369064) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
PubChem CID67369064
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1(C(=O)CC(C)(C)C)C(C)=CC=C1C
InChIInChI=1S/C15H24O2/c1-11-7-8-12(2)15(11,10-17-6)13(16)9-14(3,4)5/h7-8H,9-10H2,1-6H3
InChIKeySRPNNYIHIGORGV-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

5-(1-Acetoxyethyl)-3,5-dimethyl-3-cyclopenten-1-one
CID 129878593
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-2-methylpropan-1-one
CID 67368131
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368364
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368884
1-[1-(Methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368947
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368968
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369062
1-[1-(Methoxymethyl)-2-methylcyclohexa-2,5-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369557
1-[1-(Methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67369839
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67369845
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369865
1-[1-(Methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67370004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one (CID 67369064) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one is COCC1(C(=O)CC(C)(C)C)C(C)=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is SRPNNYIHIGORGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-7-8-12(2)15(11,10-17-6)13(16)9-14(3,4)5/h7-8H,9-10H2,1-6H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 67369064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).