4-methyl-2-propylhex-1-en-1-one

C10H18O — CID 22034585

IUPAC4-methyl-2-propylhex-1-en-1-one
SMILESCCCC(=C=O)CC(C)CC
InChIInChI=1S/C10H18O/c1-4-6-10(8-11)7-9(3)5-2/h9H,4-7H2,1-3H3
InChIKeyOEBLNCAKVFAWKW-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-2-propylhex-1-en-1-one

4-methyl-2-propylhex-1-en-1-one (PubChem CID 22034585) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methyl-2-propylhex-1-en-1-one.

Molecular Properties

Compound Name4-methyl-2-propylhex-1-en-1-one
PubChem CID22034585
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methyl-2-propylhex-1-en-1-one
SMILESCCCC(=C=O)CC(C)CC
InChIInChI=1S/C10H18O/c1-4-6-10(8-11)7-9(3)5-2/h9H,4-7H2,1-3H3
InChIKeyOEBLNCAKVFAWKW-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylhex-1-en-1-one?
The IUPAC name of 4-methyl-2-propylhex-1-en-1-one (CID 22034585) is 4-methyl-2-propylhex-1-en-1-one.
What is the SMILES notation for 4-methyl-2-propylhex-1-en-1-one?
The canonical SMILES for 4-methyl-2-propylhex-1-en-1-one is CCCC(=C=O)CC(C)CC.
What is the InChIKey of 4-methyl-2-propylhex-1-en-1-one?
The InChIKey is OEBLNCAKVFAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-10(8-11)7-9(3)5-2/h9H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2-propylhex-1-en-1-one?
4-methyl-2-propylhex-1-en-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylhex-1-en-1-one is sourced from PubChem (CID 22034585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).