7-chlorohept-1-ene

C7H13Cl — CID 12955924

IUPAC7-chlorohept-1-ene
SMILESC=CCCCCCCl
InChIInChI=1S/C7H13Cl/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKeyHGFDRTHFFJPDNE-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.97
Rot. Bonds5

About 7-chlorohept-1-ene

7-chlorohept-1-ene (PubChem CID 12955924) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 7-chlorohept-1-ene.

Molecular Properties

Compound Name7-chlorohept-1-ene
PubChem CID12955924
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name7-chlorohept-1-ene
SMILESC=CCCCCCCl
InChIInChI=1S/C7H13Cl/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKeyHGFDRTHFFJPDNE-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 7-chlorohept-1-ene?
The IUPAC name of 7-chlorohept-1-ene (CID 12955924) is 7-chlorohept-1-ene.
What is the SMILES notation for 7-chlorohept-1-ene?
The canonical SMILES for 7-chlorohept-1-ene is C=CCCCCCCl.
What is the InChIKey of 7-chlorohept-1-ene?
The InChIKey is HGFDRTHFFJPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-2-3-4-5-6-7-8/h2H,1,3-7H2.
What are the key properties of 7-chlorohept-1-ene?
7-chlorohept-1-ene has a molecular weight of 132.63 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorohept-1-ene is sourced from PubChem (CID 12955924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).