6-hydroxynonan-4-one

C9H18O2 — CID 22287595

IUPAC6-hydroxynonan-4-one
SMILESCCCC(=O)CC(O)CCC
InChIInChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h8,10H,3-7H2,1-2H3
InChIKeyMRCPQWJUIUDGMZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.91
Rot. Bonds6

About 6-hydroxynonan-4-one

6-hydroxynonan-4-one (PubChem CID 22287595) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-hydroxynonan-4-one.

Molecular Properties

Compound Name6-hydroxynonan-4-one
PubChem CID22287595
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name6-hydroxynonan-4-one
SMILESCCCC(=O)CC(O)CCC
InChIInChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h8,10H,3-7H2,1-2H3
InChIKeyMRCPQWJUIUDGMZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxytricosan-6-one
CID 131751829
6-aminononan-4-one
CID 116607782
11-hydroxynonadecan-9-one
CID 100944351
1-aminopentan-2-ol;1-aminopentan-2-one
CID 143109890
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819
3-hydroxyhexanoic acid;methane
CID 175209406
6-hydroxy-4-oxodecanoic acid
CID 14616482
5-hydroxyoctan-2-one
CID 54022064
(5S)-5-hydroxydecan-3-one
CID 102362310
propyl 3-hydroxyhexanoate
CID 14915819
5-hydroxy-1-(4-hydroxy-3-methoxy-2-pentylphenyl)octan-3-one
CID 162922446

Frequently Asked Questions

What is the IUPAC name of 6-hydroxynonan-4-one?
The IUPAC name of 6-hydroxynonan-4-one (CID 22287595) is 6-hydroxynonan-4-one.
What is the SMILES notation for 6-hydroxynonan-4-one?
The canonical SMILES for 6-hydroxynonan-4-one is CCCC(=O)CC(O)CCC.
What is the InChIKey of 6-hydroxynonan-4-one?
The InChIKey is MRCPQWJUIUDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-hydroxynonan-4-one?
6-hydroxynonan-4-one has a molecular weight of 158.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxynonan-4-one is sourced from PubChem (CID 22287595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).