non-7-yn-3-one

C9H14O — CID 23240695

IUPACnon-7-yn-3-one
SMILESCC#CCCCC(=O)CC
InChIInChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h4,6-8H2,1-2H3
InChIKeyQIVUCLAESWHQJR-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds4

About non-7-yn-3-one

non-7-yn-3-one (PubChem CID 23240695) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is non-7-yn-3-one.

Molecular Properties

Compound Namenon-7-yn-3-one
PubChem CID23240695
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenon-7-yn-3-one
SMILESCC#CCCCC(=O)CC
InChIInChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h4,6-8H2,1-2H3
InChIKeyQIVUCLAESWHQJR-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

undec-9-yn-4-one
CID 104811869
heptadecane-3,7,11,15-tetrone
CID 160942813
1-hydroxynon-7-yn-4-one
CID 106677619
methane;undecane-3,9-dione
CID 158816586
octadeca-4,16-diynoic acid
CID 169448081
non-7-ynoic acid
CID 549239
acetic acid;oct-2-yne
CID 175336936
8-(cyclohexen-1-yl)oct-7-yn-3-one
CID 101478958
1-hydroxydodecane-2,10-dione
CID 158814981
5-oxoheptanamide
CID 54102648
10-bromodec-8-yn-4-one
CID 20765013
non-7-en-3-one
CID 56994302

Frequently Asked Questions

What is the IUPAC name of non-7-yn-3-one?
The IUPAC name of non-7-yn-3-one (CID 23240695) is non-7-yn-3-one.
What is the SMILES notation for non-7-yn-3-one?
The canonical SMILES for non-7-yn-3-one is CC#CCCCC(=O)CC.
What is the InChIKey of non-7-yn-3-one?
The InChIKey is QIVUCLAESWHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h4,6-8H2,1-2H3.
What are the key properties of non-7-yn-3-one?
non-7-yn-3-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-7-yn-3-one is sourced from PubChem (CID 23240695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).