1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane

C17H24 — CID 156726896

IUPAC1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
SMILESCC.CCC(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C15H18.C2H6/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3,5-7,9-12,15H,2,4,8H2,1H3;1-2H3
InChIKeyPNMHKVUWVXIGCC-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.48
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane

1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane (PubChem CID 156726896) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
PubChem CID156726896
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
SMILESCC.CCC(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C15H18.C2H6/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3,5-7,9-12,15H,2,4,8H2,1H3;1-2H3
InChIKeyPNMHKVUWVXIGCC-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane 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

N-(4-cyclohexa-1,5-dien-1-yl-4-phenylbut-1-en-2-yl)-2-methylbutan-2-amine
CID 165399029
N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine
CID 143466576
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
CID 142914167
4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
CID 173221736
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine
CID 143050381
2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
2-cyclohexa-1,5-dien-1-ylbutanoic acid;ethane;ethene;fluoromethane
CID 144558803

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane (CID 156726896) is 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane is CC.CCC(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane?
The InChIKey is PNMHKVUWVXIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3,5-7,9-12,15H,2,4,8H2,1H3;1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane?
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane has a molecular weight of 228.38 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane is sourced from PubChem (CID 156726896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).