2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one

C9H16O3 — CID 142793680

IUPAC2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one
SMILESCOCOCC1(C)CCCC1=O
InChIInChI=1S/C9H16O3/c1-9(6-12-7-11-2)5-3-4-8(9)10/h3-7H2,1-2H3
InChIKeyIYLGJPBRXRZEMO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.37
Rot. Bonds4

About 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one

2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one (PubChem CID 142793680) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one
PubChem CID142793680
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one
SMILESCOCOCC1(C)CCCC1=O
InChIInChI=1S/C9H16O3/c1-9(6-12-7-11-2)5-3-4-8(9)10/h3-7H2,1-2H3
InChIKeyIYLGJPBRXRZEMO-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one?
The IUPAC name of 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one (CID 142793680) is 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one is COCOCC1(C)CCCC1=O.
What is the InChIKey of 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one?
The InChIKey is IYLGJPBRXRZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(6-12-7-11-2)5-3-4-8(9)10/h3-7H2,1-2H3.
What are the key properties of 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one?
2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one has a molecular weight of 172.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxymethyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 142793680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).