6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one

C15H20O — CID 91751074

IUPAC6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
SMILESC=C(CC(=O)C=C(C)C)C1=CC=C(C)CC1
InChIInChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9H,4,6,8,10H2,1-3H3
InChIKeyRJTSSXMBQPILHQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.13
Rot. Bonds4

About 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one

6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one (PubChem CID 91751074) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one.

Molecular Properties

Compound Name6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
PubChem CID91751074
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
SMILESC=C(CC(=O)C=C(C)C)C1=CC=C(C)CC1
InChIInChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9H,4,6,8,10H2,1-3H3
InChIKeyRJTSSXMBQPILHQ-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one 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

2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
1-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-one
CID 143214940
2-methyl-6-methylideneocta-2,7-dien-4-one
CID 6430826
2,6,10-trimethylundeca-2,6,9-trien-4-one
CID 57093023
5-methyl-3-oxohex-4-enoic acid
CID 55300191
N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 143130109
1-methyl-4-[3,3,4,4-tetrafluoro-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,5-dien-2-yl]cyclohexa-1,3-diene
CID 144809527

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one?
The IUPAC name of 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one (CID 91751074) is 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one.
What is the SMILES notation for 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one?
The canonical SMILES for 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one is C=C(CC(=O)C=C(C)C)C1=CC=C(C)CC1.
What is the InChIKey of 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one?
The InChIKey is RJTSSXMBQPILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9H,4,6,8,10H2,1-3H3.
What are the key properties of 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one?
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one has a molecular weight of 216.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one is sourced from PubChem (CID 91751074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).