1-(3-bromopropoxy)pentane

C8H17BrO — CID 43275109

IUPAC1-(3-bromopropoxy)pentane
SMILESCCCCCOCCCBr
InChIInChI=1S/C8H17BrO/c1-2-3-4-7-10-8-5-6-9/h2-8H2,1H3
InChIKeyLKPJDXOCVRTGAM-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.98
Rot. Bonds7

About 1-(3-bromopropoxy)pentane

1-(3-bromopropoxy)pentane (PubChem CID 43275109) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 1-(3-bromopropoxy)pentane.

Molecular Properties

Compound Name1-(3-bromopropoxy)pentane
PubChem CID43275109
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name1-(3-bromopropoxy)pentane
SMILESCCCCCOCCCBr
InChIInChI=1S/C8H17BrO/c1-2-3-4-7-10-8-5-6-9/h2-8H2,1H3
InChIKeyLKPJDXOCVRTGAM-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-bromopropoxy)pentane?
The IUPAC name of 1-(3-bromopropoxy)pentane (CID 43275109) is 1-(3-bromopropoxy)pentane.
What is the SMILES notation for 1-(3-bromopropoxy)pentane?
The canonical SMILES for 1-(3-bromopropoxy)pentane is CCCCCOCCCBr.
What is the InChIKey of 1-(3-bromopropoxy)pentane?
The InChIKey is LKPJDXOCVRTGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-2-3-4-7-10-8-5-6-9/h2-8H2,1H3.
What are the key properties of 1-(3-bromopropoxy)pentane?
1-(3-bromopropoxy)pentane has a molecular weight of 209.13 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)pentane is sourced from PubChem (CID 43275109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).