1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene

C15H18 — CID 145354359

IUPAC1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
SMILESC=C/C=C\C(=C)c1ccccc1CCC
InChIInChI=1S/C15H18/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,10-12H,1,3,5,9H2,2H3/b10-6-
InChIKeyOIXMAJSOCUSNKH-POHAHGRESA-N
MW198.31 g/mol
LogP4.39
Rot. Bonds5

About 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene

1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene (PubChem CID 145354359) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene.

Molecular Properties

Compound Name1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
PubChem CID145354359
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
SMILESC=C/C=C\C(=C)c1ccccc1CCC
InChIInChI=1S/C15H18/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,10-12H,1,3,5,9H2,2H3/b10-6-
InChIKeyOIXMAJSOCUSNKH-POHAHGRESA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene?
The IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene (CID 145354359) is 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene.
What is the SMILES notation for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene?
The canonical SMILES for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene is C=C/C=C\C(=C)c1ccccc1CCC.
What is the InChIKey of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene?
The InChIKey is OIXMAJSOCUSNKH-POHAHGRESA-N. The full InChI is InChI=1S/C15H18/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,10-12H,1,3,5,9H2,2H3/b10-6-.
What are the key properties of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene?
1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene is sourced from PubChem (CID 145354359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).