2,2-dimethoxy-3-methylcyclopentan-1-one

C8H14O3 — CID 15552583

IUPAC2,2-dimethoxy-3-methylcyclopentan-1-one
SMILESCOC1(OC)C(=O)CCC1C
InChIInChI=1S/C8H14O3/c1-6-4-5-7(9)8(6,10-2)11-3/h6H,4-5H2,1-3H3
InChIKeyKEWOVDDAJHBGRZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds2

About 2,2-dimethoxy-3-methylcyclopentan-1-one

2,2-dimethoxy-3-methylcyclopentan-1-one (PubChem CID 15552583) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,2-dimethoxy-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethoxy-3-methylcyclopentan-1-one
PubChem CID15552583
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2,2-dimethoxy-3-methylcyclopentan-1-one
SMILESCOC1(OC)C(=O)CCC1C
InChIInChI=1S/C8H14O3/c1-6-4-5-7(9)8(6,10-2)11-3/h6H,4-5H2,1-3H3
InChIKeyKEWOVDDAJHBGRZ-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3-methylcyclopentan-1-one?
The IUPAC name of 2,2-dimethoxy-3-methylcyclopentan-1-one (CID 15552583) is 2,2-dimethoxy-3-methylcyclopentan-1-one.
What is the SMILES notation for 2,2-dimethoxy-3-methylcyclopentan-1-one?
The canonical SMILES for 2,2-dimethoxy-3-methylcyclopentan-1-one is COC1(OC)C(=O)CCC1C.
What is the InChIKey of 2,2-dimethoxy-3-methylcyclopentan-1-one?
The InChIKey is KEWOVDDAJHBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-4-5-7(9)8(6,10-2)11-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethoxy-3-methylcyclopentan-1-one?
2,2-dimethoxy-3-methylcyclopentan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3-methylcyclopentan-1-one is sourced from PubChem (CID 15552583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).