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

C13H24O2 — CID 118577431

IUPAC1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one
SMILESCOCC1(C(=O)C(C)C)C(C)CC[C@H]1C
InChIInChI=1S/C13H24O2/c1-9(2)12(14)13(8-15-5)10(3)6-7-11(13)4/h9-11H,6-8H2,1-5H3/t10-,11?,13?/m1/s1
InChIKeyWSHQFQFSKBVIDP-XSRFYTQQSA-N
MW212.33 g/mol
LogP2.91
Rot. Bonds4

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

1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one (PubChem CID 118577431) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one
PubChem CID118577431
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one
SMILESCOCC1(C(=O)C(C)C)C(C)CC[C@H]1C
InChIInChI=1S/C13H24O2/c1-9(2)12(14)13(8-15-5)10(3)6-7-11(13)4/h9-11H,6-8H2,1-5H3/t10-,11?,13?/m1/s1
InChIKeyWSHQFQFSKBVIDP-XSRFYTQQSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.91
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]-2-methylpropan-1-one?
The IUPAC name of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one (CID 118577431) is 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one is COCC1(C(=O)C(C)C)C(C)CC[C@H]1C.
What is the InChIKey of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one?
The InChIKey is WSHQFQFSKBVIDP-XSRFYTQQSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)12(14)13(8-15-5)10(3)6-7-11(13)4/h9-11H,6-8H2,1-5H3/t10-,11?,13?/m1/s1.
What are the key properties of 1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one?
1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one has a molecular weight of 212.33 g/mol, XLogP of 2.91, 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]-2-methylpropan-1-one is sourced from PubChem (CID 118577431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).