1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene

C13H18 — CID 83922405

IUPAC1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1cc(C)cc(C)c1
InChIInChI=1S/C13H18/c1-4-5-6-7-13-9-11(2)8-12(3)10-13/h4-5,8-10H,6-7H2,1-3H3/b5-4-
InChIKeyIFJDBUDCICAZIN-PLNGDYQASA-N
MW174.29 g/mol
LogP3.81
Rot. Bonds3

About 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene

1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene (PubChem CID 83922405) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene
PubChem CID83922405
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1cc(C)cc(C)c1
InChIInChI=1S/C13H18/c1-4-5-6-7-13-9-11(2)8-12(3)10-13/h4-5,8-10H,6-7H2,1-3H3/b5-4-
InChIKeyIFJDBUDCICAZIN-PLNGDYQASA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.81
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene (CID 83922405) is 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1cc(C)cc(C)c1.
What is the InChIKey of 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene?
The InChIKey is IFJDBUDCICAZIN-PLNGDYQASA-N. The full InChI is InChI=1S/C13H18/c1-4-5-6-7-13-9-11(2)8-12(3)10-13/h4-5,8-10H,6-7H2,1-3H3/b5-4-.
What are the key properties of 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene?
1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83922405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).