1-chloro-1-(2-ethoxyethoxy)-2-methylbutane

C9H19ClO2 — CID 23124391

IUPAC1-chloro-1-(2-ethoxyethoxy)-2-methylbutane
SMILESCCOCCOC(Cl)C(C)CC
InChIInChI=1S/C9H19ClO2/c1-4-8(3)9(10)12-7-6-11-5-2/h8-9H,4-7H2,1-3H3
InChIKeyZHJMYFFJKWZBMF-UHFFFAOYSA-N
MW194.70 g/mol
LogP2.65
Rot. Bonds7

About 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane

1-chloro-1-(2-ethoxyethoxy)-2-methylbutane (PubChem CID 23124391) has the molecular formula C9H19ClO2 and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane.

Molecular Properties

Compound Name1-chloro-1-(2-ethoxyethoxy)-2-methylbutane
PubChem CID23124391
Molecular FormulaC9H19ClO2
Molecular Weight194.70 g/mol
Exact Mass194.11
IUPAC Name1-chloro-1-(2-ethoxyethoxy)-2-methylbutane
SMILESCCOCCOC(Cl)C(C)CC
InChIInChI=1S/C9H19ClO2/c1-4-8(3)9(10)12-7-6-11-5-2/h8-9H,4-7H2,1-3H3
InChIKeyZHJMYFFJKWZBMF-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane?
The IUPAC name of 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane (CID 23124391) is 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane.
What is the SMILES notation for 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane?
The canonical SMILES for 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane is CCOCCOC(Cl)C(C)CC.
What is the InChIKey of 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane?
The InChIKey is ZHJMYFFJKWZBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO2/c1-4-8(3)9(10)12-7-6-11-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane?
1-chloro-1-(2-ethoxyethoxy)-2-methylbutane has a molecular weight of 194.70 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-ethoxyethoxy)-2-methylbutane is sourced from PubChem (CID 23124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).