zinc 2-(3-bromopropoxy)oxane

C8H15BrO2Zn+2 — CID 175895645

IUPACzinc 2-(3-bromopropoxy)oxane
SMILESBrCCCOC1CCCCO1.[Zn+2]
InChIInChI=1S/C8H15BrO2.Zn/c9-5-3-7-11-8-4-1-2-6-10-8;/h8H,1-7H2;/q;+2
InChIKeySSWSQZQURVXVBX-UHFFFAOYSA-N
MW288.50 g/mol
LogP2.31
Rot. Bonds4

About zinc 2-(3-bromopropoxy)oxane

zinc 2-(3-bromopropoxy)oxane (PubChem CID 175895645) has the molecular formula C8H15BrO2Zn+2 and a molecular weight of 288.50 g/mol. Its IUPAC name is zinc 2-(3-bromopropoxy)oxane.

Molecular Properties

Compound Namezinc 2-(3-bromopropoxy)oxane
PubChem CID175895645
Molecular FormulaC8H15BrO2Zn+2
Molecular Weight288.50 g/mol
Exact Mass285.95
IUPAC Namezinc 2-(3-bromopropoxy)oxane
SMILESBrCCCOC1CCCCO1.[Zn+2]
InChIInChI=1S/C8H15BrO2.Zn/c9-5-3-7-11-8-4-1-2-6-10-8;/h8H,1-7H2;/q;+2
InChIKeySSWSQZQURVXVBX-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 52.31
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(12-bromododecoxy)oxane
CID 11078592
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-octacosoxyoxane
CID 11214102
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950
2-(3-prop-2-ynoxypropoxy)oxane
CID 14141844

Frequently Asked Questions

What is the IUPAC name of zinc 2-(3-bromopropoxy)oxane?
The IUPAC name of zinc 2-(3-bromopropoxy)oxane (CID 175895645) is zinc 2-(3-bromopropoxy)oxane.
What is the SMILES notation for zinc 2-(3-bromopropoxy)oxane?
The canonical SMILES for zinc 2-(3-bromopropoxy)oxane is BrCCCOC1CCCCO1.[Zn+2].
What is the InChIKey of zinc 2-(3-bromopropoxy)oxane?
The InChIKey is SSWSQZQURVXVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2.Zn/c9-5-3-7-11-8-4-1-2-6-10-8;/h8H,1-7H2;/q;+2.
What are the key properties of zinc 2-(3-bromopropoxy)oxane?
zinc 2-(3-bromopropoxy)oxane has a molecular weight of 288.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-(3-bromopropoxy)oxane is sourced from PubChem (CID 175895645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).