5-hydroxy-2,8-dimethyldecan-3-one

C12H24O2 — CID 155640629

IUPAC5-hydroxy-2,8-dimethyldecan-3-one
SMILESCCC(C)CCC(O)CC(=O)C(C)C
InChIInChI=1S/C12H24O2/c1-5-10(4)6-7-11(13)8-12(14)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNDBREZYAQGGKMM-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.79
Rot. Bonds7

About 5-hydroxy-2,8-dimethyldecan-3-one

5-hydroxy-2,8-dimethyldecan-3-one (PubChem CID 155640629) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-hydroxy-2,8-dimethyldecan-3-one.

Molecular Properties

Compound Name5-hydroxy-2,8-dimethyldecan-3-one
PubChem CID155640629
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-hydroxy-2,8-dimethyldecan-3-one
SMILESCCC(C)CCC(O)CC(=O)C(C)C
InChIInChI=1S/C12H24O2/c1-5-10(4)6-7-11(13)8-12(14)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNDBREZYAQGGKMM-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-6-methyloctanoate
CID 23176792
4,7-dimethylnonan-2-one
CID 87291820
1-amino-5-methylheptan-2-ol
CID 54546021
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
6-hydroxy-2-methyloctan-3-one
CID 79429661
3-hydroxy-6-methyloctan-2-one
CID 87292065
5-hydroxy-2-methylhexan-3-one
CID 536853
2-methyl-5-propyloctan-3-one
CID 130340917
5-(hydroxymethyl)-2-methylheptan-3-one
CID 158323441
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
CID 158464298
2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide
CID 177340655

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,8-dimethyldecan-3-one?
The IUPAC name of 5-hydroxy-2,8-dimethyldecan-3-one (CID 155640629) is 5-hydroxy-2,8-dimethyldecan-3-one.
What is the SMILES notation for 5-hydroxy-2,8-dimethyldecan-3-one?
The canonical SMILES for 5-hydroxy-2,8-dimethyldecan-3-one is CCC(C)CCC(O)CC(=O)C(C)C.
What is the InChIKey of 5-hydroxy-2,8-dimethyldecan-3-one?
The InChIKey is NDBREZYAQGGKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-10(4)6-7-11(13)8-12(14)9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-hydroxy-2,8-dimethyldecan-3-one?
5-hydroxy-2,8-dimethyldecan-3-one has a molecular weight of 200.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,8-dimethyldecan-3-one is sourced from PubChem (CID 155640629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).