5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene

C12H20Cl2O — CID 21321784

IUPAC5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene
SMILESC=C(OC(=C)C(C)CCCl)C(C)CCCl
InChIInChI=1S/C12H20Cl2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h9-10H,3-8H2,1-2H3
InChIKeyUZJHOWHTSYKQDM-UHFFFAOYSA-N
MW251.20 g/mol
LogP4.56
Rot. Bonds8

About 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene

5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene (PubChem CID 21321784) has the molecular formula C12H20Cl2O and a molecular weight of 251.20 g/mol. Its IUPAC name is 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene.

Molecular Properties

Compound Name5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene
PubChem CID21321784
Molecular FormulaC12H20Cl2O
Molecular Weight251.20 g/mol
Exact Mass250.09
IUPAC Name5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene
SMILESC=C(OC(=C)C(C)CCCl)C(C)CCCl
InChIInChI=1S/C12H20Cl2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h9-10H,3-8H2,1-2H3
InChIKeyUZJHOWHTSYKQDM-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene?
The IUPAC name of 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene (CID 21321784) is 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene.
What is the SMILES notation for 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene?
The canonical SMILES for 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene is C=C(OC(=C)C(C)CCCl)C(C)CCCl.
What is the InChIKey of 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene?
The InChIKey is UZJHOWHTSYKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene?
5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene has a molecular weight of 251.20 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene is sourced from PubChem (CID 21321784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).