2-(3-bromopropyl)oxolane

C7H13BrO — CID 15783712

IUPAC2-(3-bromopropyl)oxolane
SMILESBrCCCC1CCCO1
InChIInChI=1S/C7H13BrO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKeyWHUBAYNVEWJFOP-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-bromopropyl)oxolane

2-(3-bromopropyl)oxolane (PubChem CID 15783712) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(3-bromopropyl)oxolane.

Molecular Properties

Compound Name2-(3-bromopropyl)oxolane
PubChem CID15783712
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name2-(3-bromopropyl)oxolane
SMILESBrCCCC1CCCO1
InChIInChI=1S/C7H13BrO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2
InChIKeyWHUBAYNVEWJFOP-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
3-(3-bromopropyl)dioxane
CID 19381996
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-tetradecyloxolane
CID 10683364
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
2-[4-(bromomethyl)-5,5-dimethylhexyl]oxolane
CID 83141397
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
CID 80670025
2-(3-chloropropyl)oxane
CID 23511686

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)oxolane?
The IUPAC name of 2-(3-bromopropyl)oxolane (CID 15783712) is 2-(3-bromopropyl)oxolane.
What is the SMILES notation for 2-(3-bromopropyl)oxolane?
The canonical SMILES for 2-(3-bromopropyl)oxolane is BrCCCC1CCCO1.
What is the InChIKey of 2-(3-bromopropyl)oxolane?
The InChIKey is WHUBAYNVEWJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6H2.
What are the key properties of 2-(3-bromopropyl)oxolane?
2-(3-bromopropyl)oxolane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)oxolane is sourced from PubChem (CID 15783712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).