1-chloro-3-ethylhept-2-ene

C9H17Cl — CID 170848556

IUPAC1-chloro-3-ethylhept-2-ene
SMILESCCCCC(=CCCl)CC
InChIInChI=1S/C9H17Cl/c1-3-5-6-9(4-2)7-8-10/h7H,3-6,8H2,1-2H3
InChIKeyFUIATUGTGUXWGC-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds5

About 1-chloro-3-ethylhept-2-ene

1-chloro-3-ethylhept-2-ene (PubChem CID 170848556) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-chloro-3-ethylhept-2-ene.

Molecular Properties

Compound Name1-chloro-3-ethylhept-2-ene
PubChem CID170848556
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-chloro-3-ethylhept-2-ene
SMILESCCCCC(=CCCl)CC
InChIInChI=1S/C9H17Cl/c1-3-5-6-9(4-2)7-8-10/h7H,3-6,8H2,1-2H3
InChIKeyFUIATUGTGUXWGC-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1-chloro-3-ethylhept-2-ene?
The IUPAC name of 1-chloro-3-ethylhept-2-ene (CID 170848556) is 1-chloro-3-ethylhept-2-ene.
What is the SMILES notation for 1-chloro-3-ethylhept-2-ene?
The canonical SMILES for 1-chloro-3-ethylhept-2-ene is CCCCC(=CCCl)CC.
What is the InChIKey of 1-chloro-3-ethylhept-2-ene?
The InChIKey is FUIATUGTGUXWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-5-6-9(4-2)7-8-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-chloro-3-ethylhept-2-ene?
1-chloro-3-ethylhept-2-ene has a molecular weight of 160.69 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethylhept-2-ene is sourced from PubChem (CID 170848556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).