(E)-5-(chloromethyl)-5-ethyloct-2-ene

C11H21Cl — CID 146536144

IUPAC(E)-5-(chloromethyl)-5-ethyloct-2-ene
SMILESC/C=C/CC(CC)(CCl)CCC
InChIInChI=1S/C11H21Cl/c1-4-7-9-11(6-3,10-12)8-5-2/h4,7H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyBYHIJZONFTYRAD-QPJJXVBHSA-N
MW188.74 g/mol
LogP4.39
Rot. Bonds6

About (E)-5-(chloromethyl)-5-ethyloct-2-ene

(E)-5-(chloromethyl)-5-ethyloct-2-ene (PubChem CID 146536144) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is (E)-5-(chloromethyl)-5-ethyloct-2-ene.

Molecular Properties

Compound Name(E)-5-(chloromethyl)-5-ethyloct-2-ene
PubChem CID146536144
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name(E)-5-(chloromethyl)-5-ethyloct-2-ene
SMILESC/C=C/CC(CC)(CCl)CCC
InChIInChI=1S/C11H21Cl/c1-4-7-9-11(6-3,10-12)8-5-2/h4,7H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyBYHIJZONFTYRAD-QPJJXVBHSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.39
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 (E)-5-(chloromethyl)-5-ethyloct-2-ene?
The IUPAC name of (E)-5-(chloromethyl)-5-ethyloct-2-ene (CID 146536144) is (E)-5-(chloromethyl)-5-ethyloct-2-ene.
What is the SMILES notation for (E)-5-(chloromethyl)-5-ethyloct-2-ene?
The canonical SMILES for (E)-5-(chloromethyl)-5-ethyloct-2-ene is C/C=C/CC(CC)(CCl)CCC.
What is the InChIKey of (E)-5-(chloromethyl)-5-ethyloct-2-ene?
The InChIKey is BYHIJZONFTYRAD-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H21Cl/c1-4-7-9-11(6-3,10-12)8-5-2/h4,7H,5-6,8-10H2,1-3H3/b7-4+.
What are the key properties of (E)-5-(chloromethyl)-5-ethyloct-2-ene?
(E)-5-(chloromethyl)-5-ethyloct-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(chloromethyl)-5-ethyloct-2-ene is sourced from PubChem (CID 146536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).