1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one

C12H22O2 — CID 67427290

IUPAC1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one
SMILESCCC(=O)C1(COC)C(C)CC[C@H]1C
InChIInChI=1S/C12H22O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h9-10H,5-8H2,1-4H3/t9-,10?,12?/m1/s1
InChIKeyCOBLCDKZKWDRRX-GRZMOONWSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds4

About 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one

1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one (PubChem CID 67427290) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one
PubChem CID67427290
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one
SMILESCCC(=O)C1(COC)C(C)CC[C@H]1C
InChIInChI=1S/C12H22O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h9-10H,5-8H2,1-4H3/t9-,10?,12?/m1/s1
InChIKeyCOBLCDKZKWDRRX-GRZMOONWSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one?
The IUPAC name of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one (CID 67427290) is 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one.
What is the SMILES notation for 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one?
The canonical SMILES for 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one is CCC(=O)C1(COC)C(C)CC[C@H]1C.
What is the InChIKey of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one?
The InChIKey is COBLCDKZKWDRRX-GRZMOONWSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h9-10H,5-8H2,1-4H3/t9-,10?,12?/m1/s1.
What are the key properties of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one?
1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one is sourced from PubChem (CID 67427290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).