8-hydroxy-2-methylnonan-4-one

C10H20O2 — CID 57006312

IUPAC8-hydroxy-2-methylnonan-4-one
SMILESCC(C)CC(=O)CCCC(C)O
InChIInChI=1S/C10H20O2/c1-8(2)7-10(12)6-4-5-9(3)11/h8-9,11H,4-7H2,1-3H3
InChIKeyYCNYRAFFNSVVBV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About 8-hydroxy-2-methylnonan-4-one

8-hydroxy-2-methylnonan-4-one (PubChem CID 57006312) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 8-hydroxy-2-methylnonan-4-one.

Molecular Properties

Compound Name8-hydroxy-2-methylnonan-4-one
PubChem CID57006312
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name8-hydroxy-2-methylnonan-4-one
SMILESCC(C)CC(=O)CCCC(C)O
InChIInChI=1S/C10H20O2/c1-8(2)7-10(12)6-4-5-9(3)11/h8-9,11H,4-7H2,1-3H3
InChIKeyYCNYRAFFNSVVBV-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,10-dihydroxyundecan-6-one
CID 56979503
6-methyl-1-methylsulfonylheptan-4-one
CID 63192162
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
2-methylhexadecan-4-one
CID 63411798
(5R)-5-hydroxyhexanoate
CID 7131042
10-amino-2-methyldecan-4-one
CID 116551412
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
9-bromo-2-methylnonan-4-one
CID 173106418
2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one
CID 161019744
2-methyl-9-tritiononan-4-one
CID 58830992
2-methylhexadecane-4,7-dione
CID 57053022
2,8-dihydroxynonan-5-one
CID 174799972

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methylnonan-4-one?
The IUPAC name of 8-hydroxy-2-methylnonan-4-one (CID 57006312) is 8-hydroxy-2-methylnonan-4-one.
What is the SMILES notation for 8-hydroxy-2-methylnonan-4-one?
The canonical SMILES for 8-hydroxy-2-methylnonan-4-one is CC(C)CC(=O)CCCC(C)O.
What is the InChIKey of 8-hydroxy-2-methylnonan-4-one?
The InChIKey is YCNYRAFFNSVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)7-10(12)6-4-5-9(3)11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 8-hydroxy-2-methylnonan-4-one?
8-hydroxy-2-methylnonan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methylnonan-4-one is sourced from PubChem (CID 57006312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).