gold;non-3-en-2-one

C9H16AuO — CID 159452579

IUPACgold;non-3-en-2-one
SMILESCCCCCC=CC(C)=O.[Au]
InChIInChI=1S/C9H16O.Au/c1-3-4-5-6-7-8-9(2)10;/h7-8H,3-6H2,1-2H3;
InChIKeyLTOIFZIQCULAIJ-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.71
Rot. Bonds5

About gold;non-3-en-2-one

gold;non-3-en-2-one (PubChem CID 159452579) has the molecular formula C9H16AuO and a molecular weight of 337.19 g/mol. Its IUPAC name is gold;non-3-en-2-one.

Molecular Properties

Compound Namegold;non-3-en-2-one
PubChem CID159452579
Molecular FormulaC9H16AuO
Molecular Weight337.19 g/mol
Exact Mass337.09
IUPAC Namegold;non-3-en-2-one
SMILESCCCCCC=CC(C)=O.[Au]
InChIInChI=1S/C9H16O.Au/c1-3-4-5-6-7-8-9(2)10;/h7-8H,3-6H2,1-2H3;
InChIKeyLTOIFZIQCULAIJ-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methane;oct-3-en-2-one
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hept-3-en-2-one;oct-3-en-2-one
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(3E,11E)-tetradeca-3,11-diene-2,13-dione
CID 24974321
hexadecanoic acid;non-3-en-2-one
CID 161074659
non-3-en-2-one;octadec-9-enoic acid
CID 162178060
decan-3-one;dec-3-en-2-one
CID 174922599
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
hexane;hex-3-en-2-one
CID 159035878
pentadeca-3,5,7-trien-2-one
CID 91106763
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913

Frequently Asked Questions

What is the IUPAC name of gold;non-3-en-2-one?
The IUPAC name of gold;non-3-en-2-one (CID 159452579) is gold;non-3-en-2-one.
What is the SMILES notation for gold;non-3-en-2-one?
The canonical SMILES for gold;non-3-en-2-one is CCCCCC=CC(C)=O.[Au].
What is the InChIKey of gold;non-3-en-2-one?
The InChIKey is LTOIFZIQCULAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.Au/c1-3-4-5-6-7-8-9(2)10;/h7-8H,3-6H2,1-2H3;.
What are the key properties of gold;non-3-en-2-one?
gold;non-3-en-2-one has a molecular weight of 337.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold;non-3-en-2-one is sourced from PubChem (CID 159452579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).