(E)-1,7-dichloro-3,7-dimethyloct-2-ene

C10H18Cl2 — CID 11356252

IUPAC(E)-1,7-dichloro-3,7-dimethyloct-2-ene
SMILESC/C(=C\CCl)CCCC(C)(C)Cl
InChIInChI=1S/C10H18Cl2/c1-9(6-8-11)5-4-7-10(2,3)12/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyWNNLPZZSOBNEHF-RMKNXTFCSA-N
MW209.16 g/mol
LogP4.36
Rot. Bonds5

About (E)-1,7-dichloro-3,7-dimethyloct-2-ene

(E)-1,7-dichloro-3,7-dimethyloct-2-ene (PubChem CID 11356252) has the molecular formula C10H18Cl2 and a molecular weight of 209.16 g/mol. Its IUPAC name is (E)-1,7-dichloro-3,7-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-1,7-dichloro-3,7-dimethyloct-2-ene
PubChem CID11356252
Molecular FormulaC10H18Cl2
Molecular Weight209.16 g/mol
Exact Mass208.08
IUPAC Name(E)-1,7-dichloro-3,7-dimethyloct-2-ene
SMILESC/C(=C\CCl)CCCC(C)(C)Cl
InChIInChI=1S/C10H18Cl2/c1-9(6-8-11)5-4-7-10(2,3)12/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyWNNLPZZSOBNEHF-RMKNXTFCSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 54.36
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)-1,7-dichloro-3,7-dimethyloct-2-ene?
The IUPAC name of (E)-1,7-dichloro-3,7-dimethyloct-2-ene (CID 11356252) is (E)-1,7-dichloro-3,7-dimethyloct-2-ene.
What is the SMILES notation for (E)-1,7-dichloro-3,7-dimethyloct-2-ene?
The canonical SMILES for (E)-1,7-dichloro-3,7-dimethyloct-2-ene is C/C(=C\CCl)CCCC(C)(C)Cl.
What is the InChIKey of (E)-1,7-dichloro-3,7-dimethyloct-2-ene?
The InChIKey is WNNLPZZSOBNEHF-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18Cl2/c1-9(6-8-11)5-4-7-10(2,3)12/h6H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-1,7-dichloro-3,7-dimethyloct-2-ene?
(E)-1,7-dichloro-3,7-dimethyloct-2-ene has a molecular weight of 209.16 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-dichloro-3,7-dimethyloct-2-ene is sourced from PubChem (CID 11356252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).