1-pent-4-enyl-2-prop-1-en-2-ylbenzene

C14H18 — CID 143278192

IUPAC1-pent-4-enyl-2-prop-1-en-2-ylbenzene
SMILESC=CCCCc1ccccc1C(=C)C
InChIInChI=1S/C14H18/c1-4-5-6-9-13-10-7-8-11-14(13)12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3
InChIKeyGSGNPVRNETUCBU-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.23
Rot. Bonds5

About 1-pent-4-enyl-2-prop-1-en-2-ylbenzene

1-pent-4-enyl-2-prop-1-en-2-ylbenzene (PubChem CID 143278192) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-pent-4-enyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-pent-4-enyl-2-prop-1-en-2-ylbenzene
PubChem CID143278192
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-pent-4-enyl-2-prop-1-en-2-ylbenzene
SMILESC=CCCCc1ccccc1C(=C)C
InChIInChI=1S/C14H18/c1-4-5-6-9-13-10-7-8-11-14(13)12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3
InChIKeyGSGNPVRNETUCBU-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-pent-4-enyl-2-prop-1-en-2-ylbenzene (CID 143278192) is 1-pent-4-enyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-pent-4-enyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-pent-4-enyl-2-prop-1-en-2-ylbenzene is C=CCCCc1ccccc1C(=C)C.
What is the InChIKey of 1-pent-4-enyl-2-prop-1-en-2-ylbenzene?
The InChIKey is GSGNPVRNETUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-5-6-9-13-10-7-8-11-14(13)12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3.
What are the key properties of 1-pent-4-enyl-2-prop-1-en-2-ylbenzene?
1-pent-4-enyl-2-prop-1-en-2-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143278192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).