nonan-5-one

C9H18O — CID 10405

IUPACnonan-5-one
SMILESCCCCC(=O)CCCC
InChIInChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
InChIKeyWSGCRAOTEDLMFQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.94
Rot. Bonds6

About nonan-5-one

nonan-5-one (PubChem CID 10405) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is nonan-5-one.

Molecular Properties

Compound Namenonan-5-one
PubChem CID10405
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namenonan-5-one
SMILESCCCCC(=O)CCCC
InChIInChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
InChIKeyWSGCRAOTEDLMFQ-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Undecanone
CID 8163
2-Tridecanone
CID 11622
3-Octanone
CID 246728
2-Octanone
CID 8093
2-Decanone
CID 12741
2-Nonanone
CID 13187
2-Dodecanone
CID 22556
Cyclododecanone
CID 13246
3-Decanone
CID 13576
3-Heptanone
CID 7802
3-Nonanone
CID 61235
2-Tetradecanone
CID 75364

Frequently Asked Questions

What is the IUPAC name of nonan-5-one?
The IUPAC name of nonan-5-one (CID 10405) is nonan-5-one.
What is the SMILES notation for nonan-5-one?
The canonical SMILES for nonan-5-one is CCCCC(=O)CCCC.
What is the InChIKey of nonan-5-one?
The InChIKey is WSGCRAOTEDLMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of nonan-5-one?
nonan-5-one has a molecular weight of 142.24 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-one is sourced from PubChem (CID 10405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).