cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone

C15H18O — CID 143897034

IUPACcyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone
SMILESCC1=CC=C(C(=O)C2=CC=CCC2)CC1C
InChIInChI=1S/C15H18O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-4,6,8-9,12H,5,7,10H2,1-2H3
InChIKeyHELGLAVSOJKNCL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.74
Rot. Bonds2

About cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone

cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone (PubChem CID 143897034) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone
PubChem CID143897034
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Namecyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone
SMILESCC1=CC=C(C(=O)C2=CC=CCC2)CC1C
InChIInChI=1S/C15H18O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-4,6,8-9,12H,5,7,10H2,1-2H3
InChIKeyHELGLAVSOJKNCL-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
CID 123250994
cyclohexa-1,3-dien-1-yl-(5-methylthiophen-2-yl)methanone;ethane
CID 142848722
cyclohexa-1,3-dien-1-yl-[4-(4-ethylphenyl)cyclohexa-1,3-dien-1-yl]methanone
CID 66920697
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
amino cyclohexa-1,3-diene-1-carboxylate
CID 163575650
cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone
CID 145053869
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
6-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151206802
S-[(E)-but-2-enyl] cyclohexa-1,3-diene-1-carbothioate
CID 15369277
[5-(5-benzoyl-4-ethyl-3-methyl-1H-pyrrol-2-yl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]-cyclohexa-1,3-dien-1-ylmethanone
CID 71035253

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone (CID 143897034) is cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone is CC1=CC=C(C(=O)C2=CC=CCC2)CC1C.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is HELGLAVSOJKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-4,6,8-9,12H,5,7,10H2,1-2H3.
What are the key properties of cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone?
cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 214.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 143897034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).