4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane

C11H23BrO2 — CID 103182469

IUPAC4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane
SMILESCCC(CCOCCCOC)C(C)Br
InChIInChI=1S/C11H23BrO2/c1-4-11(10(2)12)6-9-14-8-5-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeySEWZCEZOBWIZAK-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.24
Rot. Bonds9

About 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane

4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane (PubChem CID 103182469) has the molecular formula C11H23BrO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane.

Molecular Properties

Compound Name4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane
PubChem CID103182469
Molecular FormulaC11H23BrO2
Molecular Weight267.21 g/mol
Exact Mass266.09
IUPAC Name4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane
SMILESCCC(CCOCCCOC)C(C)Br
InChIInChI=1S/C11H23BrO2/c1-4-11(10(2)12)6-9-14-8-5-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeySEWZCEZOBWIZAK-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.24
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 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane?
The IUPAC name of 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane (CID 103182469) is 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane.
What is the SMILES notation for 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane?
The canonical SMILES for 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane is CCC(CCOCCCOC)C(C)Br.
What is the InChIKey of 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane?
The InChIKey is SEWZCEZOBWIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO2/c1-4-11(10(2)12)6-9-14-8-5-7-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane?
4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane has a molecular weight of 267.21 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethyl-1-(3-methoxypropoxy)pentane is sourced from PubChem (CID 103182469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).