hex-1-enylbenzene;prop-1-ene

C15H22 — CID 157442084

IUPAChex-1-enylbenzene;prop-1-ene
SMILESC=CC.CCCCC=Cc1ccccc1
InChIInChI=1S/C12H16.C3H6/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h5-11H,2-4H2,1H3;3H,1H2,2H3
InChIKeyBRUCJYGATFHMME-UHFFFAOYSA-N
MW202.34 g/mol
LogP5.08
Rot. Bonds4

About hex-1-enylbenzene;prop-1-ene

hex-1-enylbenzene;prop-1-ene (PubChem CID 157442084) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is hex-1-enylbenzene;prop-1-ene.

Molecular Properties

Compound Namehex-1-enylbenzene;prop-1-ene
PubChem CID157442084
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Namehex-1-enylbenzene;prop-1-ene
SMILESC=CC.CCCCC=Cc1ccccc1
InChIInChI=1S/C12H16.C3H6/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h5-11H,2-4H2,1H3;3H,1H2,2H3
InChIKeyBRUCJYGATFHMME-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
oct-1-enylbenzene;phosphoric acid
CID 159316508
3-bromoprop-1-enylbenzene;prop-1-ene
CID 67394567
5-ethoxypent-1-enylbenzene
CID 54285670
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-bromododec-1-enylbenzene
CID 158445223
6-chlorododec-1-enylbenzene
CID 150262306
5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene
CID 173037204
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
octadeca-1,3-dienylbenzene
CID 54155436

Frequently Asked Questions

What is the IUPAC name of hex-1-enylbenzene;prop-1-ene?
The IUPAC name of hex-1-enylbenzene;prop-1-ene (CID 157442084) is hex-1-enylbenzene;prop-1-ene.
What is the SMILES notation for hex-1-enylbenzene;prop-1-ene?
The canonical SMILES for hex-1-enylbenzene;prop-1-ene is C=CC.CCCCC=Cc1ccccc1.
What is the InChIKey of hex-1-enylbenzene;prop-1-ene?
The InChIKey is BRUCJYGATFHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C3H6/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h5-11H,2-4H2,1H3;3H,1H2,2H3.
What are the key properties of hex-1-enylbenzene;prop-1-ene?
hex-1-enylbenzene;prop-1-ene has a molecular weight of 202.34 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-enylbenzene;prop-1-ene is sourced from PubChem (CID 157442084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).