5-chloronon-4-ene

C9H17Cl — CID 170848554

IUPAC5-chloronon-4-ene
SMILESCCCC=C(Cl)CCCC
InChIInChI=1S/C9H17Cl/c1-3-5-7-9(10)8-6-4-2/h7H,3-6,8H2,1-2H3
InChIKeyCESRKUUAXLWZHZ-UHFFFAOYSA-N
MW160.69 g/mol
LogP4.10
Rot. Bonds5

About 5-chloronon-4-ene

5-chloronon-4-ene (PubChem CID 170848554) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 5-chloronon-4-ene.

Molecular Properties

Compound Name5-chloronon-4-ene
PubChem CID170848554
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name5-chloronon-4-ene
SMILESCCCC=C(Cl)CCCC
InChIInChI=1S/C9H17Cl/c1-3-5-7-9(10)8-6-4-2/h7H,3-6,8H2,1-2H3
InChIKeyCESRKUUAXLWZHZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloronon-4-ene?
The IUPAC name of 5-chloronon-4-ene (CID 170848554) is 5-chloronon-4-ene.
What is the SMILES notation for 5-chloronon-4-ene?
The canonical SMILES for 5-chloronon-4-ene is CCCC=C(Cl)CCCC.
What is the InChIKey of 5-chloronon-4-ene?
The InChIKey is CESRKUUAXLWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-5-7-9(10)8-6-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-chloronon-4-ene?
5-chloronon-4-ene has a molecular weight of 160.69 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloronon-4-ene is sourced from PubChem (CID 170848554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).