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

C15H24O2 — CID 67368364

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
SMILESCCCCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C15H24O2/c1-5-6-7-8-14(16)15(11-17-4)12(2)9-10-13(15)3/h9-10H,5-8,11H2,1-4H3
InChIKeyMLZMVIRJPRHTRP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds7

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

1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one (PubChem CID 67368364) 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]hexan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
PubChem CID67368364
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
SMILESCCCCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C15H24O2/c1-5-6-7-8-14(16)15(11-17-4)12(2)9-10-13(15)3/h9-10H,5-8,11H2,1-4H3
InChIKeyMLZMVIRJPRHTRP-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one (CID 67368364) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one is CCCCCC(=O)C1(COC)C(C)=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The InChIKey is MLZMVIRJPRHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-7-8-14(16)15(11-17-4)12(2)9-10-13(15)3/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 7 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]hexan-1-one is sourced from PubChem (CID 67368364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).