1-[(Z)-hex-2-enyl]-3-methylbenzene

C13H18 — CID 101190405

IUPAC1-[(Z)-hex-2-enyl]-3-methylbenzene
SMILESCCC/C=C\Cc1cccc(C)c1
InChIInChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3/b6-5-
InChIKeyCBASMFFKLMJSJA-WAYWQWQTSA-N
MW174.29 g/mol
LogP3.89
Rot. Bonds4

About 1-[(Z)-hex-2-enyl]-3-methylbenzene

1-[(Z)-hex-2-enyl]-3-methylbenzene (PubChem CID 101190405) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(Z)-hex-2-enyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-hex-2-enyl]-3-methylbenzene
PubChem CID101190405
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(Z)-hex-2-enyl]-3-methylbenzene
SMILESCCC/C=C\Cc1cccc(C)c1
InChIInChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3/b6-5-
InChIKeyCBASMFFKLMJSJA-WAYWQWQTSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-2-enyl-4-methylbenzene
CID 54148468
1-methyl-3-pent-1-enylbenzene
CID 54093666
ethane;1-methyl-3-[(2Z)-octa-2,4,5-trienyl]benzene
CID 143532319
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
1-ethyl-3-methylbenzene;methanamine
CID 167447790
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
3-(3-methylphenyl)propan-1-imine
CID 88993030
ethane;1-methyl-3-pentylbenzene
CID 143267779
[(E)-oct-2-enyl]benzene
CID 13383320
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
1-ethyl-3-methylbenzene;isocyanic acid
CID 88779668

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-2-enyl]-3-methylbenzene?
The IUPAC name of 1-[(Z)-hex-2-enyl]-3-methylbenzene (CID 101190405) is 1-[(Z)-hex-2-enyl]-3-methylbenzene.
What is the SMILES notation for 1-[(Z)-hex-2-enyl]-3-methylbenzene?
The canonical SMILES for 1-[(Z)-hex-2-enyl]-3-methylbenzene is CCC/C=C\Cc1cccc(C)c1.
What is the InChIKey of 1-[(Z)-hex-2-enyl]-3-methylbenzene?
The InChIKey is CBASMFFKLMJSJA-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3/b6-5-.
What are the key properties of 1-[(Z)-hex-2-enyl]-3-methylbenzene?
1-[(Z)-hex-2-enyl]-3-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-2-enyl]-3-methylbenzene is sourced from PubChem (CID 101190405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).