(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione

C15H18O2 — CID 135076285

IUPAC(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione
SMILESCC(=O)/C=C(/C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H18O2/c1-12(11-13(2)16)7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11H,6-7,10H2,1-2H3/b12-11-
InChIKeyMLKOMDLLVUBCOW-QXMHVHEDSA-N
MW230.31 g/mol
LogP3.57
Rot. Bonds6

About (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione

(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione (PubChem CID 135076285) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione.

Molecular Properties

Compound Name(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione
PubChem CID135076285
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione
SMILESCC(=O)/C=C(/C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H18O2/c1-12(11-13(2)16)7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11H,6-7,10H2,1-2H3/b12-11-
InChIKeyMLKOMDLLVUBCOW-QXMHVHEDSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylheptane-1,6-dione
CID 11333176
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
1,15-diphenylpentadecane-1,15-dione
CID 159981687
5-oxo-5-phenylpentanamide
CID 3787245
1,8-diphenyloctane-1,4,8-trione
CID 140639847
ethane;1-phenylpentan-1-one
CID 143728184
4-ethylsulfonyl-1-phenylbutan-1-one
CID 61057259
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
methyl-bis(3-oxo-3-phenylpropyl)azanium chloride
CID 11067528
1-phenylheptadecan-1-one
CID 577626
4-phenylpent-3-en-2-one
CID 594380

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione?
The IUPAC name of (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione (CID 135076285) is (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione.
What is the SMILES notation for (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione?
The canonical SMILES for (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione is CC(=O)/C=C(/C)CCCC(=O)c1ccccc1.
What is the InChIKey of (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione?
The InChIKey is MLKOMDLLVUBCOW-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H18O2/c1-12(11-13(2)16)7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11H,6-7,10H2,1-2H3/b12-11-.
What are the key properties of (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione?
(Z)-5-methyl-1-phenyloct-5-ene-1,7-dione has a molecular weight of 230.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-1-phenyloct-5-ene-1,7-dione is sourced from PubChem (CID 135076285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).