1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one

C10H18O2 — CID 124704154

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-10(2,3)9(12)7-5-4-6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXBMUFXVIPFCRDY-YUMQZZPRSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one

1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one (PubChem CID 124704154) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
PubChem CID124704154
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-10(2,3)9(12)7-5-4-6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXBMUFXVIPFCRDY-YUMQZZPRSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one (CID 124704154) is 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[C@H]1CCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one?
The InChIKey is XBMUFXVIPFCRDY-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,3)9(12)7-5-4-6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one?
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 124704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).