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

C17H26 — CID 143782404

IUPACcyclohexa-1,5-dien-1-ylmethylbenzene;ethane
SMILESC1=CC(Cc2ccccc2)=CCC1.CC.CC
InChIInChI=1S/C13H14.2C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2/h1,3-5,7-10H,2,6,11H2;2*1-2H3
InChIKeyPYHQPDAAMUUCGX-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.56
Rot. Bonds2

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

cyclohexa-1,5-dien-1-ylmethylbenzene;ethane (PubChem CID 143782404) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethylbenzene;ethane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethylbenzene;ethane
PubChem CID143782404
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Namecyclohexa-1,5-dien-1-ylmethylbenzene;ethane
SMILESC1=CC(Cc2ccccc2)=CCC1.CC.CC
InChIInChI=1S/C13H14.2C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2/h1,3-5,7-10H,2,6,11H2;2*1-2H3
InChIKeyPYHQPDAAMUUCGX-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
CID 144947537
(cyclohexa-1,5-dien-1-ylmethyltrisulfanyl)methylbenzene
CID 143979079
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-phenyl-5-[3-[3-(1-phenylethyl)phenyl]phenyl]benzene
CID 142551763
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene
CID 142399123
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine
CID 167079901
N,N-dibenzylcyclohexa-1,5-dien-1-amine
CID 142853635
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
benzylbenzene;ethane;methanamine
CID 54117827

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethylbenzene;ethane?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethylbenzene;ethane (CID 143782404) is cyclohexa-1,5-dien-1-ylmethylbenzene;ethane.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethylbenzene;ethane?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethylbenzene;ethane is C1=CC(Cc2ccccc2)=CCC1.CC.CC.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethylbenzene;ethane?
The InChIKey is PYHQPDAAMUUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.2C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2/h1,3-5,7-10H,2,6,11H2;2*1-2H3.
What are the key properties of cyclohexa-1,5-dien-1-ylmethylbenzene;ethane?
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane has a molecular weight of 230.39 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethylbenzene;ethane is sourced from PubChem (CID 143782404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).