2-bromo-1-ethoxy-2-(ethoxymethyl)pentane

C10H21BrO2 — CID 19985371

IUPAC2-bromo-1-ethoxy-2-(ethoxymethyl)pentane
SMILESCCCC(Br)(COCC)COCC
InChIInChI=1S/C10H21BrO2/c1-4-7-10(11,8-12-5-2)9-13-6-3/h4-9H2,1-3H3
InChIKeyUYTIHLDCHAUOCC-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.99
Rot. Bonds8

About 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane

2-bromo-1-ethoxy-2-(ethoxymethyl)pentane (PubChem CID 19985371) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane.

Molecular Properties

Compound Name2-bromo-1-ethoxy-2-(ethoxymethyl)pentane
PubChem CID19985371
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name2-bromo-1-ethoxy-2-(ethoxymethyl)pentane
SMILESCCCC(Br)(COCC)COCC
InChIInChI=1S/C10H21BrO2/c1-4-7-10(11,8-12-5-2)9-13-6-3/h4-9H2,1-3H3
InChIKeyUYTIHLDCHAUOCC-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.99
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 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane?
The IUPAC name of 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane (CID 19985371) is 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane.
What is the SMILES notation for 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane?
The canonical SMILES for 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane is CCCC(Br)(COCC)COCC.
What is the InChIKey of 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane?
The InChIKey is UYTIHLDCHAUOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-4-7-10(11,8-12-5-2)9-13-6-3/h4-9H2,1-3H3.
What are the key properties of 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane?
2-bromo-1-ethoxy-2-(ethoxymethyl)pentane has a molecular weight of 253.18 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethoxy-2-(ethoxymethyl)pentane is sourced from PubChem (CID 19985371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).