5-chloropent-1-ene

C5H9Cl — CID 523042

IUPAC5-chloropent-1-ene
SMILESC=CCCCCl
InChIInChI=1S/C5H9Cl/c1-2-3-4-5-6/h2H,1,3-5H2
InChIKeyUPOBJNRMUDPATE-UHFFFAOYSA-N
MW104.58 g/mol
LogP2.19
Rot. Bonds3

About 5-chloropent-1-ene

5-chloropent-1-ene (PubChem CID 523042) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is 5-chloropent-1-ene.

Molecular Properties

Compound Name5-chloropent-1-ene
PubChem CID523042
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name5-chloropent-1-ene
SMILESC=CCCCCl
InChIInChI=1S/C5H9Cl/c1-2-3-4-5-6/h2H,1,3-5H2
InChIKeyUPOBJNRMUDPATE-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.19
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

4-Chloro-1-butene
CID 13565
6-Chloro-1-hexene
CID 70233
1-Pentene, 1-chloro-
CID 6433781
3-Chloro-1-pentene
CID 520120
3-Chloro-1-heptene
CID 534251
8-Chloro-1-octene
CID 11344097
4-Chloropent-1-ene
CID 139176
5-Chlorohex-1-ene
CID 14399272
cis-6-Chloro-2-hexene
CID 12466001
7-Chloro-1-heptene
CID 12955924
2,5-Dichloropent-1-ene
CID 13396236
2-Chloro-1,5-hexadiene
CID 13601447

Frequently Asked Questions

What is the IUPAC name of 5-chloropent-1-ene?
The IUPAC name of 5-chloropent-1-ene (CID 523042) is 5-chloropent-1-ene.
What is the SMILES notation for 5-chloropent-1-ene?
The canonical SMILES for 5-chloropent-1-ene is C=CCCCCl.
What is the InChIKey of 5-chloropent-1-ene?
The InChIKey is UPOBJNRMUDPATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl/c1-2-3-4-5-6/h2H,1,3-5H2.
What are the key properties of 5-chloropent-1-ene?
5-chloropent-1-ene has a molecular weight of 104.58 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropent-1-ene is sourced from PubChem (CID 523042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).