1-(2-bromo-1-prop-2-enoxyethoxy)butane

C9H17BrO2 — CID 10944454

IUPAC1-(2-bromo-1-prop-2-enoxyethoxy)butane
SMILESC=CCOC(CBr)OCCCC
InChIInChI=1S/C9H17BrO2/c1-3-5-7-12-9(8-10)11-6-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyYKUFHMYRDUAYJU-UHFFFAOYSA-N
MW237.14 g/mol
LogP2.73
Rot. Bonds8

About 1-(2-bromo-1-prop-2-enoxyethoxy)butane

1-(2-bromo-1-prop-2-enoxyethoxy)butane (PubChem CID 10944454) has the molecular formula C9H17BrO2 and a molecular weight of 237.14 g/mol. Its IUPAC name is 1-(2-bromo-1-prop-2-enoxyethoxy)butane.

Molecular Properties

Compound Name1-(2-bromo-1-prop-2-enoxyethoxy)butane
PubChem CID10944454
Molecular FormulaC9H17BrO2
Molecular Weight237.14 g/mol
Exact Mass236.04
IUPAC Name1-(2-bromo-1-prop-2-enoxyethoxy)butane
SMILESC=CCOC(CBr)OCCCC
InChIInChI=1S/C9H17BrO2/c1-3-5-7-12-9(8-10)11-6-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyYKUFHMYRDUAYJU-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 52.73
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Bis[(prop-2-en-1-yl)oxy]butane
CID 329136
1,1-Bis(allyloxy)-2-bromo-2-butene
CID 5469951
3-Butoxy-3-methoxy-1-propene
CID 13738680
3-(2-Bromo-1-ethoxyethoxy)penta-1,4-diene
CID 85772175
(2E)-1,1-Dibutoxybut-2-ene
CID 5355525
(E)-4-bromo-1,1-diethoxy-2-methyl-2-butene
CID 13046223
3-[1-(1-Prop-2-enoxyethoxy)ethoxy]prop-1-ene
CID 87891590
1,1-Bis(allyloxy)pentane
CID 3018524
1,1-Bis(allyloxy)propane
CID 23342697
1-(2-Bromo-1-butoxyethoxy)-3-methylbut-2-ene
CID 10967408
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
(Z)-1-(1-butoxyethoxy)-4-methoxybut-2-ene
CID 134887894

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-prop-2-enoxyethoxy)butane?
The IUPAC name of 1-(2-bromo-1-prop-2-enoxyethoxy)butane (CID 10944454) is 1-(2-bromo-1-prop-2-enoxyethoxy)butane.
What is the SMILES notation for 1-(2-bromo-1-prop-2-enoxyethoxy)butane?
The canonical SMILES for 1-(2-bromo-1-prop-2-enoxyethoxy)butane is C=CCOC(CBr)OCCCC.
What is the InChIKey of 1-(2-bromo-1-prop-2-enoxyethoxy)butane?
The InChIKey is YKUFHMYRDUAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO2/c1-3-5-7-12-9(8-10)11-6-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-bromo-1-prop-2-enoxyethoxy)butane?
1-(2-bromo-1-prop-2-enoxyethoxy)butane has a molecular weight of 237.14 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-prop-2-enoxyethoxy)butane is sourced from PubChem (CID 10944454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).