ethane;[(E)-pent-1-enyl]benzene

C13H20 — CID 143265687

IUPACethane;[(E)-pent-1-enyl]benzene
SMILESCC.CCC/C=C/c1ccccc1
InChIInChI=1S/C11H14.C2H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-2/h4-10H,2-3H2,1H3;1-2H3/b8-5+;
InChIKeyHKCYORAVAWZGEN-HAAWTFQLSA-N
MW176.30 g/mol
LogP4.53
Rot. Bonds3

About ethane;[(E)-pent-1-enyl]benzene

ethane;[(E)-pent-1-enyl]benzene (PubChem CID 143265687) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Nameethane;[(E)-pent-1-enyl]benzene
PubChem CID143265687
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethane;[(E)-pent-1-enyl]benzene
SMILESCC.CCC/C=C/c1ccccc1
InChIInChI=1S/C11H14.C2H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-2/h4-10H,2-3H2,1H3;1-2H3/b8-5+;
InChIKeyHKCYORAVAWZGEN-HAAWTFQLSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
1-[(Z)-pent-1-enyl]-3-phenylbenzene
CID 177453433
benzene;but-1-enylbenzene
CID 157481332
hex-1-enylbenzene;prop-1-ene
CID 157442084
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
4-[(E)-pent-1-enyl]phenol
CID 15576502
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
1-methyl-3-pent-1-enylbenzene
CID 54093666
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
triethyl(4-phenylbut-3-enyl)silane
CID 85256276
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-ethenyl-4-[[4-[(Z)-pent-1-enyl]phenyl]-diphenylmethyl]benzene
CID 144673708

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-pent-1-enyl]benzene?
The IUPAC name of ethane;[(E)-pent-1-enyl]benzene (CID 143265687) is ethane;[(E)-pent-1-enyl]benzene.
What is the SMILES notation for ethane;[(E)-pent-1-enyl]benzene?
The canonical SMILES for ethane;[(E)-pent-1-enyl]benzene is CC.CCC/C=C/c1ccccc1.
What is the InChIKey of ethane;[(E)-pent-1-enyl]benzene?
The InChIKey is HKCYORAVAWZGEN-HAAWTFQLSA-N. The full InChI is InChI=1S/C11H14.C2H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-2/h4-10H,2-3H2,1H3;1-2H3/b8-5+;.
What are the key properties of ethane;[(E)-pent-1-enyl]benzene?
ethane;[(E)-pent-1-enyl]benzene has a molecular weight of 176.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 143265687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).