5-hydroxy-5-propan-2-yloctan-4-one

C11H22O2 — CID 121217425

IUPAC5-hydroxy-5-propan-2-yloctan-4-one
SMILESCCCC(=O)C(O)(CCC)C(C)C
InChIInChI=1S/C11H22O2/c1-5-7-10(12)11(13,8-6-2)9(3)4/h9,13H,5-8H2,1-4H3
InChIKeyDFSATNGQYABFJJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.54
Rot. Bonds6

About 5-hydroxy-5-propan-2-yloctan-4-one

5-hydroxy-5-propan-2-yloctan-4-one (PubChem CID 121217425) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-hydroxy-5-propan-2-yloctan-4-one.

Molecular Properties

Compound Name5-hydroxy-5-propan-2-yloctan-4-one
PubChem CID121217425
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-hydroxy-5-propan-2-yloctan-4-one
SMILESCCCC(=O)C(O)(CCC)C(C)C
InChIInChI=1S/C11H22O2/c1-5-7-10(12)11(13,8-6-2)9(3)4/h9,13H,5-8H2,1-4H3
InChIKeyDFSATNGQYABFJJ-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-5-propan-2-yloctan-4-one
CID 123521732
5,5-dichlorooctan-4-one
CID 10987199
3-oxo-2,2-di(propan-2-yl)hexanoic acid
CID 173314036
2,2,3-trimethyl-3-propan-2-ylheptan-4-one
CID 170848971
1,1,1-trichloropentan-2-one
CID 87815684
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
CID 153491926
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
CID 114868886
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
methyl 2-hydroxy-2-(1-hydroxyethyl)pentanoate
CID 123296265

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-propan-2-yloctan-4-one?
The IUPAC name of 5-hydroxy-5-propan-2-yloctan-4-one (CID 121217425) is 5-hydroxy-5-propan-2-yloctan-4-one.
What is the SMILES notation for 5-hydroxy-5-propan-2-yloctan-4-one?
The canonical SMILES for 5-hydroxy-5-propan-2-yloctan-4-one is CCCC(=O)C(O)(CCC)C(C)C.
What is the InChIKey of 5-hydroxy-5-propan-2-yloctan-4-one?
The InChIKey is DFSATNGQYABFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-10(12)11(13,8-6-2)9(3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of 5-hydroxy-5-propan-2-yloctan-4-one?
5-hydroxy-5-propan-2-yloctan-4-one has a molecular weight of 186.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-propan-2-yloctan-4-one is sourced from PubChem (CID 121217425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).