ethane;1-ethenyl-4-pentan-2-ylbenzene

C15H24 — CID 178004325

IUPACethane;1-ethenyl-4-pentan-2-ylbenzene
SMILESC=Cc1ccc(C(C)CCC)cc1.CC
InChIInChI=1S/C13H18.C2H6/c1-4-6-11(3)13-9-7-12(5-2)8-10-13;1-2/h5,7-11H,2,4,6H2,1,3H3;1-2H3
InChIKeyYLACIOLJNDRJKC-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.26
Rot. Bonds4

About ethane;1-ethenyl-4-pentan-2-ylbenzene

ethane;1-ethenyl-4-pentan-2-ylbenzene (PubChem CID 178004325) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;1-ethenyl-4-pentan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethenyl-4-pentan-2-ylbenzene
PubChem CID178004325
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;1-ethenyl-4-pentan-2-ylbenzene
SMILESC=Cc1ccc(C(C)CCC)cc1.CC
InChIInChI=1S/C13H18.C2H6/c1-4-6-11(3)13-9-7-12(5-2)8-10-13;1-2/h5,7-11H,2,4,6H2,1,3H3;1-2H3
InChIKeyYLACIOLJNDRJKC-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-ethenylphenyl)pentan-1-amine
CID 156902125
1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
CID 139791979
pentan-2-ylbenzene
CID 17627
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
ethane;3-methylidene-4-propylheptane;1-methyl-4-pentan-2-ylbenzene
CID 177061085
1-(chloromethyl)-4-pentan-2-ylbenzene
CID 19353579
ethyl 4-(4-ethenylphenyl)-2-(fluoromethyl)pentanoate
CID 141004474
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene
CID 176659837
N-[1-(4-ethenylphenyl)ethyl]octadecan-1-amine
CID 20554605
1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840
butan-2-ylbenzene;ethenylbenzene;tungsten;dihydrate
CID 159917104

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-pentan-2-ylbenzene?
The IUPAC name of ethane;1-ethenyl-4-pentan-2-ylbenzene (CID 178004325) is ethane;1-ethenyl-4-pentan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethenyl-4-pentan-2-ylbenzene?
The canonical SMILES for ethane;1-ethenyl-4-pentan-2-ylbenzene is C=Cc1ccc(C(C)CCC)cc1.CC.
What is the InChIKey of ethane;1-ethenyl-4-pentan-2-ylbenzene?
The InChIKey is YLACIOLJNDRJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6/c1-4-6-11(3)13-9-7-12(5-2)8-10-13;1-2/h5,7-11H,2,4,6H2,1,3H3;1-2H3.
What are the key properties of ethane;1-ethenyl-4-pentan-2-ylbenzene?
ethane;1-ethenyl-4-pentan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-pentan-2-ylbenzene is sourced from PubChem (CID 178004325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).