2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane

C11H19BrO — CID 103142758

IUPAC2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane
SMILESC=CC(C)(CBr)CC1CCC(C)O1
InChIInChI=1S/C11H19BrO/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKJRVCLVEPNIXNB-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane

2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane (PubChem CID 103142758) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane
PubChem CID103142758
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane
SMILESC=CC(C)(CBr)CC1CCC(C)O1
InChIInChI=1S/C11H19BrO/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKJRVCLVEPNIXNB-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(5-methyloxolan-2-yl)methyl]but-3-en-1-ol
CID 103142539
[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
CID 86036978
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
2-cyclopropyl-2-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103139001
4-[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentene
CID 165445962
N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138418
2-(2,2-dimethylpropyl)-6-methyloxane
CID 163432444
1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
CID 103132323
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
N,5-dimethyl-2-[2-methyl-1-(5-methyloxolan-2-yl)propan-2-yl]cyclohexan-1-amine
CID 103131899
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138980
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane (CID 103142758) is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane is C=CC(C)(CBr)CC1CCC(C)O1.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane?
The InChIKey is KJRVCLVEPNIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c1-4-11(3,8-12)7-10-6-5-9(2)13-10/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane?
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane has a molecular weight of 247.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane is sourced from PubChem (CID 103142758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).