5-bromopent-1-ene;styrene

C13H17Br — CID 159724041

IUPAC5-bromopent-1-ene;styrene
SMILESC=CCCCBr.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H9Br/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6/h2-7H,1H2;2H,1,3-5H2
InChIKeyNAKDVGQUBZACLV-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.68
Rot. Bonds4

About 5-bromopent-1-ene;styrene

5-bromopent-1-ene;styrene (PubChem CID 159724041) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 5-bromopent-1-ene;styrene.

Molecular Properties

Compound Name5-bromopent-1-ene;styrene
PubChem CID159724041
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name5-bromopent-1-ene;styrene
SMILESC=CCCCBr.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H9Br/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6/h2-7H,1H2;2H,1,3-5H2
InChIKeyNAKDVGQUBZACLV-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromopent-1-ene;styrene?
The IUPAC name of 5-bromopent-1-ene;styrene (CID 159724041) is 5-bromopent-1-ene;styrene.
What is the SMILES notation for 5-bromopent-1-ene;styrene?
The canonical SMILES for 5-bromopent-1-ene;styrene is C=CCCCBr.C=Cc1ccccc1.
What is the InChIKey of 5-bromopent-1-ene;styrene?
The InChIKey is NAKDVGQUBZACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H9Br/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6/h2-7H,1H2;2H,1,3-5H2.
What are the key properties of 5-bromopent-1-ene;styrene?
5-bromopent-1-ene;styrene has a molecular weight of 253.18 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopent-1-ene;styrene is sourced from PubChem (CID 159724041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).