4-methylnon-1-en-3-one

C10H18O — CID 24974485

IUPAC4-methylnon-1-en-3-one
SMILESC=CC(=O)C(C)CCCCC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyYTJOKVRUVYAXDM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About 4-methylnon-1-en-3-one

4-methylnon-1-en-3-one (PubChem CID 24974485) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methylnon-1-en-3-one.

Molecular Properties

Compound Name4-methylnon-1-en-3-one
PubChem CID24974485
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methylnon-1-en-3-one
SMILESC=CC(=O)C(C)CCCCC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyYTJOKVRUVYAXDM-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
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

4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817
4-methylhex-1-en-3-one
CID 15724302
4-(3-oxoundec-1-en-4-yloxy)undec-1-en-3-one
CID 140975481
dichloromethane;prop-2-enyl 2-methyloctanoate
CID 174827241
(3R)-3-methyloctan-2-one
CID 158725350
3-methyltridecan-2-one
CID 58341645
3-methylundecan-2-one
CID 12634600
methanol;2-methylheptanoic acid
CID 174821979
3-methyloctadecan-2-one
CID 89177698
heptane;2-methylheptadecanoic acid
CID 175511035
ethane;methanamine;(3S)-3-methyl-2-oxoheptanal
CID 143358738

Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-en-3-one?
The IUPAC name of 4-methylnon-1-en-3-one (CID 24974485) is 4-methylnon-1-en-3-one.
What is the SMILES notation for 4-methylnon-1-en-3-one?
The canonical SMILES for 4-methylnon-1-en-3-one is C=CC(=O)C(C)CCCCC.
What is the InChIKey of 4-methylnon-1-en-3-one?
The InChIKey is YTJOKVRUVYAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 4-methylnon-1-en-3-one?
4-methylnon-1-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-en-3-one is sourced from PubChem (CID 24974485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).