2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane

C20H34 — CID 143424026

IUPAC2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
SMILESC1=CC(CCc2ccccc2)=CCC1.CC.CC.CC
InChIInChI=1S/C14H16.3C2H6/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2/h1,3-5,7-10H,2,6,11-12H2;3*1-2H3
InChIKeyOECGJJDRUCNWDJ-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.97
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane

2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane (PubChem CID 143424026) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
PubChem CID143424026
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
SMILESC1=CC(CCc2ccccc2)=CCC1.CC.CC.CC
InChIInChI=1S/C14H16.3C2H6/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2/h1,3-5,7-10H,2,6,11-12H2;3*1-2H3
InChIKeyOECGJJDRUCNWDJ-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
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CID 144947537
N-benzyl-N-(2-cyclohexa-1,5-dien-1-ylethyl)-5-(4-phenylbutoxy)pentan-1-amine
CID 57098648
(cyclohexa-1,5-dien-1-ylmethyltrisulfanyl)methylbenzene
CID 143979079
ethane;methane;2-phenylethylbenzene
CID 158652330
7-cyclohexa-1,5-dien-1-ylhept-2-ynylbenzene;formaldehyde;methane
CID 143289907
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620
CID 145359118
CID 145359118
benzene;2-phenylethylbenzene
CID 18982764
1-(14-cyclohexa-1,5-dien-1-yltetradecoxy)pentan-2-yloxymethylbenzene;ethane
CID 145255669
2-[4-[[4-(2-cyclohexa-1,5-dien-1-ylethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 139542624

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane (CID 143424026) is 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane is C1=CC(CCc2ccccc2)=CCC1.CC.CC.CC.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane?
The InChIKey is OECGJJDRUCNWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.3C2H6/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2/h1,3-5,7-10H,2,6,11-12H2;3*1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane?
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane has a molecular weight of 274.49 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane is sourced from PubChem (CID 143424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).