(7R,8S)-8-hydroxy-7-methylnonan-3-one

C10H20O2 — CID 122413902

IUPAC(7R,8S)-8-hydroxy-7-methylnonan-3-one
SMILESCCC(=O)CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H20O2/c1-4-10(12)7-5-6-8(2)9(3)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyXJGNDTUMFMJWCW-BDAKNGLRSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About (7R,8S)-8-hydroxy-7-methylnonan-3-one

(7R,8S)-8-hydroxy-7-methylnonan-3-one (PubChem CID 122413902) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (7R,8S)-8-hydroxy-7-methylnonan-3-one.

Molecular Properties

Compound Name(7R,8S)-8-hydroxy-7-methylnonan-3-one
PubChem CID122413902
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(7R,8S)-8-hydroxy-7-methylnonan-3-one
SMILESCCC(=O)CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H20O2/c1-4-10(12)7-5-6-8(2)9(3)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyXJGNDTUMFMJWCW-BDAKNGLRSA-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

ethane;7-methyloctan-3-one
CID 142816942
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2-methyl-6-oxooctanenitrile
CID 162414520
heptadecane-3,7,11,15-tetrone
CID 160942813
2,10-dihydroxyundecan-6-one
CID 56979503
7-ethylundecan-3-one
CID 64522719
methane;undecane-3,9-dione
CID 158816586
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
butane;ethane;3-methylheptan-2-ol
CID 176696047
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
methyl 8-hydroxy-7-methylnonanoate
CID 90765466
6-hydroxyoctan-3-one
CID 15920952

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-8-hydroxy-7-methylnonan-3-one?
The IUPAC name of (7R,8S)-8-hydroxy-7-methylnonan-3-one (CID 122413902) is (7R,8S)-8-hydroxy-7-methylnonan-3-one.
What is the SMILES notation for (7R,8S)-8-hydroxy-7-methylnonan-3-one?
The canonical SMILES for (7R,8S)-8-hydroxy-7-methylnonan-3-one is CCC(=O)CCC[C@@H](C)[C@H](C)O.
What is the InChIKey of (7R,8S)-8-hydroxy-7-methylnonan-3-one?
The InChIKey is XJGNDTUMFMJWCW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-10(12)7-5-6-8(2)9(3)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (7R,8S)-8-hydroxy-7-methylnonan-3-one?
(7R,8S)-8-hydroxy-7-methylnonan-3-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 (7R,8S)-8-hydroxy-7-methylnonan-3-one is sourced from PubChem (CID 122413902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).