1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one

C10H18O2 — CID 59214776

IUPAC1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
SMILESCOCC1CC1C(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-10(2,3)9(11)8-5-7(8)6-12-4/h7-8H,5-6H2,1-4H3
InChIKeyOZKNTMCHJKQATM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one

1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one (PubChem CID 59214776) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
PubChem CID59214776
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
SMILESCOCC1CC1C(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-10(2,3)9(11)8-5-7(8)6-12-4/h7-8H,5-6H2,1-4H3
InChIKeyOZKNTMCHJKQATM-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one (CID 59214776) is 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one is COCC1CC1C(=O)C(C)(C)C.
What is the InChIKey of 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one?
The InChIKey is OZKNTMCHJKQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,3)9(11)8-5-7(8)6-12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one?
1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59214776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).