2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene

C19H28Cl2O — CID 10807298

IUPAC2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c([C@@H](C)O/C(Cl)=C\Cl)c(C(C)C)c1
InChIInChI=1S/C19H28Cl2O/c1-11(2)15-8-16(12(3)4)19(17(9-15)13(5)6)14(7)22-18(21)10-20/h8-14H,1-7H3/b18-10-/t14-/m1/s1
InChIKeyAEJUAHVACGTQCY-FNHQQPGVSA-N
MW343.34 g/mol
LogP7.41
Rot. Bonds6

About 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene

2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene (PubChem CID 10807298) has the molecular formula C19H28Cl2O and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
PubChem CID10807298
Molecular FormulaC19H28Cl2O
Molecular Weight343.34 g/mol
Exact Mass342.15
IUPAC Name2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c([C@@H](C)O/C(Cl)=C\Cl)c(C(C)C)c1
InChIInChI=1S/C19H28Cl2O/c1-11(2)15-8-16(12(3)4)19(17(9-15)13(5)6)14(7)22-18(21)10-20/h8-14H,1-7H3/b18-10-/t14-/m1/s1
InChIKeyAEJUAHVACGTQCY-FNHQQPGVSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene (CID 10807298) is 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c([C@@H](C)O/C(Cl)=C\Cl)c(C(C)C)c1.
What is the InChIKey of 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is AEJUAHVACGTQCY-FNHQQPGVSA-N. The full InChI is InChI=1S/C19H28Cl2O/c1-11(2)15-8-16(12(3)4)19(17(9-15)13(5)6)14(7)22-18(21)10-20/h8-14H,1-7H3/b18-10-/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene?
2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 343.34 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(E)-1,2-dichloroethenoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 10807298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).