5-(2-bromoethoxy)pent-1-ene

C7H13BrO — CID 79115016

IUPAC5-(2-bromoethoxy)pent-1-ene
SMILESC=CCCCOCCBr
InChIInChI=1S/C7H13BrO/c1-2-3-4-6-9-7-5-8/h2H,1,3-7H2
InChIKeyQHCJTBAWBQEJHT-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.36
Rot. Bonds6

About 5-(2-bromoethoxy)pent-1-ene

5-(2-bromoethoxy)pent-1-ene (PubChem CID 79115016) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 5-(2-bromoethoxy)pent-1-ene.

Molecular Properties

Compound Name5-(2-bromoethoxy)pent-1-ene
PubChem CID79115016
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name5-(2-bromoethoxy)pent-1-ene
SMILESC=CCCCOCCBr
InChIInChI=1S/C7H13BrO/c1-2-3-4-6-9-7-5-8/h2H,1,3-7H2
InChIKeyQHCJTBAWBQEJHT-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.36
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-9-but-3-enoxynonane
CID 105343299
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
12-dodec-11-enoxydodec-1-ene
CID 87325659
1-(2-bromoethoxy)-3-ethenoxypropane
CID 139639729
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
3-pent-4-enoxypropanoic acid
CID 10034873
1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
CID 57103728
6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
CID 177402979
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
CID 142736704

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethoxy)pent-1-ene?
The IUPAC name of 5-(2-bromoethoxy)pent-1-ene (CID 79115016) is 5-(2-bromoethoxy)pent-1-ene.
What is the SMILES notation for 5-(2-bromoethoxy)pent-1-ene?
The canonical SMILES for 5-(2-bromoethoxy)pent-1-ene is C=CCCCOCCBr.
What is the InChIKey of 5-(2-bromoethoxy)pent-1-ene?
The InChIKey is QHCJTBAWBQEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-2-3-4-6-9-7-5-8/h2H,1,3-7H2.
What are the key properties of 5-(2-bromoethoxy)pent-1-ene?
5-(2-bromoethoxy)pent-1-ene has a molecular weight of 193.08 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethoxy)pent-1-ene is sourced from PubChem (CID 79115016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).