2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

C10H19ClO2 — CID 12870184

IUPAC2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
SMILESCC(C)(C)O/C=C(/Cl)OC(C)(C)C
InChIInChI=1S/C10H19ClO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7-
InChIKeyKOTWWTHHZPJJNC-FPLPWBNLSA-N
MW206.71 g/mol
LogP3.65
Rot. Bonds2

About 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (PubChem CID 12870184) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
PubChem CID12870184
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
SMILESCC(C)(C)O/C=C(/Cl)OC(C)(C)C
InChIInChI=1S/C10H19ClO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7-
InChIKeyKOTWWTHHZPJJNC-FPLPWBNLSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The IUPAC name of 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (CID 12870184) is 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.
What is the SMILES notation for 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The canonical SMILES for 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is CC(C)(C)O/C=C(/Cl)OC(C)(C)C.
What is the InChIKey of 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
The InChIKey is KOTWWTHHZPJJNC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7-.
What are the key properties of 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?
2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane has a molecular weight of 206.71 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is sourced from PubChem (CID 12870184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).