(E)-6-methyl-5-propylundec-5-en-4-one

C15H28O — CID 134874879

IUPAC(E)-6-methyl-5-propylundec-5-en-4-one
SMILESCCCCC/C(C)=C(\CCC)C(=O)CCC
InChIInChI=1S/C15H28O/c1-5-8-9-12-13(4)14(10-6-2)15(16)11-7-3/h5-12H2,1-4H3/b14-13+
InChIKeyKXHLUWAVHHAIBP-BUHFOSPRSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds9

About (E)-6-methyl-5-propylundec-5-en-4-one

(E)-6-methyl-5-propylundec-5-en-4-one (PubChem CID 134874879) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (E)-6-methyl-5-propylundec-5-en-4-one.

Molecular Properties

Compound Name(E)-6-methyl-5-propylundec-5-en-4-one
PubChem CID134874879
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(E)-6-methyl-5-propylundec-5-en-4-one
SMILESCCCCC/C(C)=C(\CCC)C(=O)CCC
InChIInChI=1S/C15H28O/c1-5-8-9-12-13(4)14(10-6-2)15(16)11-7-3/h5-12H2,1-4H3/b14-13+
InChIKeyKXHLUWAVHHAIBP-BUHFOSPRSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
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

8,9-dimethylhexadec-8-ene
CID 140717938
2-butan-2-ylideneoctanoic acid
CID 173391437
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
methyl 2-ethyl-3-methylnonadec-2-enoate
CID 175468450
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711
2-oxotricosanoic acid
CID 5312932
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-oxoheptadecanoic acid
CID 5312901
decan-2-one
CID 12741
2,3-dimethyltridec-2-ene
CID 22376033

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-5-propylundec-5-en-4-one?
The IUPAC name of (E)-6-methyl-5-propylundec-5-en-4-one (CID 134874879) is (E)-6-methyl-5-propylundec-5-en-4-one.
What is the SMILES notation for (E)-6-methyl-5-propylundec-5-en-4-one?
The canonical SMILES for (E)-6-methyl-5-propylundec-5-en-4-one is CCCCC/C(C)=C(\CCC)C(=O)CCC.
What is the InChIKey of (E)-6-methyl-5-propylundec-5-en-4-one?
The InChIKey is KXHLUWAVHHAIBP-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H28O/c1-5-8-9-12-13(4)14(10-6-2)15(16)11-7-3/h5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-6-methyl-5-propylundec-5-en-4-one?
(E)-6-methyl-5-propylundec-5-en-4-one has a molecular weight of 224.39 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-5-propylundec-5-en-4-one is sourced from PubChem (CID 134874879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).