7-hydroxy-7-methylundecan-5-one

C12H24O2 — CID 121007959

IUPAC7-hydroxy-7-methylundecan-5-one
SMILESCCCCC(=O)CC(C)(O)CCCC
InChIInChI=1S/C12H24O2/c1-4-6-8-11(13)10-12(3,14)9-7-5-2/h14H,4-10H2,1-3H3
InChIKeyYAPXJQKXIKSAPW-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.08
Rot. Bonds8

About 7-hydroxy-7-methylundecan-5-one

7-hydroxy-7-methylundecan-5-one (PubChem CID 121007959) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 7-hydroxy-7-methylundecan-5-one.

Molecular Properties

Compound Name7-hydroxy-7-methylundecan-5-one
PubChem CID121007959
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name7-hydroxy-7-methylundecan-5-one
SMILESCCCCC(=O)CC(C)(O)CCCC
InChIInChI=1S/C12H24O2/c1-4-6-8-11(13)10-12(3,14)9-7-5-2/h14H,4-10H2,1-3H3
InChIKeyYAPXJQKXIKSAPW-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyldodecane-5,8-dione
CID 13333855
1,1,1-trifluoro-2-hydroxy-2-methyloctan-4-one
CID 153346206
2,2-dihydroxyhexacosan-4-one
CID 141351870
4-hydroxy-4-methyloctanoic acid
CID 18462846
5-hydroxy-5-methyloctan-3-one
CID 87431906
4-hydroxy-4-methyltetradecan-2-one
CID 174972394
5,5-dimethyltridecane-2,7-dione
CID 173128843
2-methyl-2-propylsulfanyloctan-4-one
CID 88902576
2-bromo-4-methyloct-1-en-4-ol
CID 15751849
2,2-dimethyldodecan-5-one
CID 114970047
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
8,8-dimethylnonan-4-one
CID 61481441

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methylundecan-5-one?
The IUPAC name of 7-hydroxy-7-methylundecan-5-one (CID 121007959) is 7-hydroxy-7-methylundecan-5-one.
What is the SMILES notation for 7-hydroxy-7-methylundecan-5-one?
The canonical SMILES for 7-hydroxy-7-methylundecan-5-one is CCCCC(=O)CC(C)(O)CCCC.
What is the InChIKey of 7-hydroxy-7-methylundecan-5-one?
The InChIKey is YAPXJQKXIKSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-8-11(13)10-12(3,14)9-7-5-2/h14H,4-10H2,1-3H3.
What are the key properties of 7-hydroxy-7-methylundecan-5-one?
7-hydroxy-7-methylundecan-5-one has a molecular weight of 200.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methylundecan-5-one is sourced from PubChem (CID 121007959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).