1-cyclohex-2-en-1-ylprop-1-enylbenzene

C15H18 — CID 123727649

IUPAC1-cyclohex-2-en-1-ylprop-1-enylbenzene
SMILESCC=C(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-7,9-11,14H,4,8,12H2,1H3
InChIKeyPSKFLDRYXCYMNL-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.45
Rot. Bonds2

About 1-cyclohex-2-en-1-ylprop-1-enylbenzene

1-cyclohex-2-en-1-ylprop-1-enylbenzene (PubChem CID 123727649) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylprop-1-enylbenzene.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylprop-1-enylbenzene
PubChem CID123727649
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-cyclohex-2-en-1-ylprop-1-enylbenzene
SMILESCC=C(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-7,9-11,14H,4,8,12H2,1H3
InChIKeyPSKFLDRYXCYMNL-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylprop-1-enylbenzene?
The IUPAC name of 1-cyclohex-2-en-1-ylprop-1-enylbenzene (CID 123727649) is 1-cyclohex-2-en-1-ylprop-1-enylbenzene.
What is the SMILES notation for 1-cyclohex-2-en-1-ylprop-1-enylbenzene?
The canonical SMILES for 1-cyclohex-2-en-1-ylprop-1-enylbenzene is CC=C(c1ccccc1)C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylprop-1-enylbenzene?
The InChIKey is PSKFLDRYXCYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-7,9-11,14H,4,8,12H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-ylprop-1-enylbenzene?
1-cyclohex-2-en-1-ylprop-1-enylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylprop-1-enylbenzene is sourced from PubChem (CID 123727649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).