1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane

C11H22Cl2O2 — CID 19985351

IUPAC1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane
SMILESCCOC(Cl)C(CC(C)C)C(Cl)OCC
InChIInChI=1S/C11H22Cl2O2/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-11H,5-7H2,1-4H3
InChIKeyFGMMKABGENDYIC-UHFFFAOYSA-N
MW257.20 g/mol
LogP3.85
Rot. Bonds8

About 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane

1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane (PubChem CID 19985351) has the molecular formula C11H22Cl2O2 and a molecular weight of 257.20 g/mol. Its IUPAC name is 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane.

Molecular Properties

Compound Name1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane
PubChem CID19985351
Molecular FormulaC11H22Cl2O2
Molecular Weight257.20 g/mol
Exact Mass256.10
IUPAC Name1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane
SMILESCCOC(Cl)C(CC(C)C)C(Cl)OCC
InChIInChI=1S/C11H22Cl2O2/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-11H,5-7H2,1-4H3
InChIKeyFGMMKABGENDYIC-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane?
The IUPAC name of 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane (CID 19985351) is 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane.
What is the SMILES notation for 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane?
The canonical SMILES for 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane is CCOC(Cl)C(CC(C)C)C(Cl)OCC.
What is the InChIKey of 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane?
The InChIKey is FGMMKABGENDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2O2/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane?
1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane has a molecular weight of 257.20 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(ethoxy)methyl]-1-ethoxy-4-methylpentane is sourced from PubChem (CID 19985351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).