1-chlorononan-3-one

C9H17ClO — CID 11062938

IUPAC1-chlorononan-3-one
SMILESCCCCCCC(=O)CCCl
InChIInChI=1S/C9H17ClO/c1-2-3-4-5-6-9(11)7-8-10/h2-8H2,1H3
InChIKeyFUGABGALVSROOT-UHFFFAOYSA-N
MW176.69 g/mol
LogP3.15
Rot. Bonds7

About 1-chlorononan-3-one

1-chlorononan-3-one (PubChem CID 11062938) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-chlorononan-3-one.

Molecular Properties

Compound Name1-chlorononan-3-one
PubChem CID11062938
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name1-chlorononan-3-one
SMILESCCCCCCC(=O)CCCl
InChIInChI=1S/C9H17ClO/c1-2-3-4-5-6-9(11)7-8-10/h2-8H2,1H3
InChIKeyFUGABGALVSROOT-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentadecan-3-one
CID 162712829
1-chlorodecan-4-one
CID 65439314
12-chlorododecan-6-one
CID 162712835
1-chloropentacosan-7-one
CID 162712808
(Z)-1-chloropentacos-16-en-3-one
CID 162712776
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of 1-chlorononan-3-one?
The IUPAC name of 1-chlorononan-3-one (CID 11062938) is 1-chlorononan-3-one.
What is the SMILES notation for 1-chlorononan-3-one?
The canonical SMILES for 1-chlorononan-3-one is CCCCCCC(=O)CCCl.
What is the InChIKey of 1-chlorononan-3-one?
The InChIKey is FUGABGALVSROOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-2-3-4-5-6-9(11)7-8-10/h2-8H2,1H3.
What are the key properties of 1-chlorononan-3-one?
1-chlorononan-3-one has a molecular weight of 176.69 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorononan-3-one is sourced from PubChem (CID 11062938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).