3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane

C9H19BrO2 — CID 165445651

IUPAC3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane
SMILESCCC(CBr)C(COC)COC
InChIInChI=1S/C9H19BrO2/c1-4-8(5-10)9(6-11-2)7-12-3/h8-9H,4-7H2,1-3H3
InChIKeyINDOPADMZIAQPV-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.32
Rot. Bonds7

About 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane

3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane (PubChem CID 165445651) has the molecular formula C9H19BrO2 and a molecular weight of 239.15 g/mol. Its IUPAC name is 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane.

Molecular Properties

Compound Name3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane
PubChem CID165445651
Molecular FormulaC9H19BrO2
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane
SMILESCCC(CBr)C(COC)COC
InChIInChI=1S/C9H19BrO2/c1-4-8(5-10)9(6-11-2)7-12-3/h8-9H,4-7H2,1-3H3
InChIKeyINDOPADMZIAQPV-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.32
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 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane?
The IUPAC name of 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane (CID 165445651) is 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane.
What is the SMILES notation for 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane?
The canonical SMILES for 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane is CCC(CBr)C(COC)COC.
What is the InChIKey of 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane?
The InChIKey is INDOPADMZIAQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO2/c1-4-8(5-10)9(6-11-2)7-12-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane?
3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane has a molecular weight of 239.15 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-methoxy-2-(methoxymethyl)pentane is sourced from PubChem (CID 165445651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).