2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene

C13H25BrO5 — CID 139925917

IUPAC2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=C(C)OCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO5/c1-13(2)19-12-11-18-10-9-17-8-7-16-6-5-15-4-3-14/h1,3-12H2,2H3
InChIKeyVDIYEGXIUUANNR-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.00
Rot. Bonds15

About 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene

2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene (PubChem CID 139925917) has the molecular formula C13H25BrO5 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
PubChem CID139925917
Molecular FormulaC13H25BrO5
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=C(C)OCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO5/c1-13(2)19-12-11-18-10-9-17-8-7-16-6-5-15-4-3-14/h1,3-12H2,2H3
InChIKeyVDIYEGXIUUANNR-UHFFFAOYSA-N
XLogP2.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-prop-1-en-2-yloxyethoxy)ethanol
CID 87206577
2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 175050176
2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925927
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 170160421
1,3-bis(prop-1-en-2-yloxy)propane;methane
CID 162270596
1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159080030
2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
CID 164887540
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The IUPAC name of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene (CID 139925917) is 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The canonical SMILES for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene is C=C(C)OCCOCCOCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The InChIKey is VDIYEGXIUUANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO5/c1-13(2)19-12-11-18-10-9-17-8-7-16-6-5-15-4-3-14/h1,3-12H2,2H3.
What are the key properties of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene has a molecular weight of 341.24 g/mol, XLogP of 2.00, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 139925917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).