4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one

C10H18O2 — CID 130028968

IUPAC4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CC(C(C)(C)O)CC1=O
InChIInChI=1S/C10H18O2/c1-9(2)6-7(5-8(9)11)10(3,4)12/h7,12H,5-6H2,1-4H3
InChIKeyJCTBNVDATZKZRG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one

4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one (PubChem CID 130028968) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one
PubChem CID130028968
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CC(C(C)(C)O)CC1=O
InChIInChI=1S/C10H18O2/c1-9(2)6-7(5-8(9)11)10(3,4)12/h7,12H,5-6H2,1-4H3
InChIKeyJCTBNVDATZKZRG-UHFFFAOYSA-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 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one (CID 130028968) is 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one is CC1(C)CC(C(C)(C)O)CC1=O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is JCTBNVDATZKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-7(5-8(9)11)10(3,4)12/h7,12H,5-6H2,1-4H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one?
4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-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 4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 130028968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).