1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one

C11H20O2 — CID 23263643

IUPAC1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one
SMILESCC1C(O)CCC1C(=O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-7-8(5-6-9(7)12)10(13)11(2,3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyMQUWWCDXQRXRMT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one

1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one (PubChem CID 23263643) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one
PubChem CID23263643
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one
SMILESCC1C(O)CCC1C(=O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-7-8(5-6-9(7)12)10(13)11(2,3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyMQUWWCDXQRXRMT-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-exo-5-Hydroxycamphor
CID 447414
5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 189214
(1S,4S,5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 21145050
(1S,3S,3aR,5R,8aS)-1-hydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 101222768
5-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 86047059
(1R,4R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 130813327
(1S,3aS,4R,8aS)-1-hydroxy-4,8a-dimethyl-1,2,3,3a,4,5,7,8-octahydroazulen-6-one
CID 10943421
5-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one
CID 440017
1-Propanone, 1-(2-hydroxybicyclo[2.2.1]hept-7-yl)-2,2-dimethyl-
CID 5227829
6-Hydroxy-8,8-dimethylbicyclo[3.2.1]octan-2-one
CID 376780
1-[(2S)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-methylcyclopentyl]heptan-2-one
CID 59963421
(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one
CID 166655745

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one (CID 23263643) is 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one is CC1C(O)CCC1C(=O)C(C)(C)C.
What is the InChIKey of 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one?
The InChIKey is MQUWWCDXQRXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-8(5-6-9(7)12)10(13)11(2,3)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one?
1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylcyclopentyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23263643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).