(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one

C16H20O — CID 13383969

IUPAC(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
SMILESCC(/C=C/c1ccccc1)=C\C(=O)CC(C)C
InChIInChI=1S/C16H20O/c1-13(2)11-16(17)12-14(3)9-10-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3/b10-9+,14-12+
InChIKeyDIVPGYBEWUISID-MSEVIDPPSA-N
MW228.34 g/mol
LogP4.26
Rot. Bonds5

About (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one

(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one (PubChem CID 13383969) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one.

Molecular Properties

Compound Name(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
PubChem CID13383969
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
SMILESCC(/C=C/c1ccccc1)=C\C(=O)CC(C)C
InChIInChI=1S/C16H20O/c1-13(2)11-16(17)12-14(3)9-10-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3/b10-9+,14-12+
InChIKeyDIVPGYBEWUISID-MSEVIDPPSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
CID 5377692
tert-butyl (2E,4E)-3-methyl-5-phenylpenta-2,4-dienoate
CID 134982649
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one?
The IUPAC name of (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one (CID 13383969) is (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one.
What is the SMILES notation for (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one?
The canonical SMILES for (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one is CC(/C=C/c1ccccc1)=C\C(=O)CC(C)C.
What is the InChIKey of (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one?
The InChIKey is DIVPGYBEWUISID-MSEVIDPPSA-N. The full InChI is InChI=1S/C16H20O/c1-13(2)11-16(17)12-14(3)9-10-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3/b10-9+,14-12+.
What are the key properties of (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one?
(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one has a molecular weight of 228.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one is sourced from PubChem (CID 13383969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).