2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane

C11H19BrO2 — CID 65007578

IUPAC2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane
SMILESBrCC1(COCC2CCCO2)CCC1
InChIInChI=1S/C11H19BrO2/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h10H,1-9H2
InChIKeyVXOUWLQWNZSWKD-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.75
Rot. Bonds5

About 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane

2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane (PubChem CID 65007578) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane
PubChem CID65007578
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane
SMILESBrCC1(COCC2CCCO2)CCC1
InChIInChI=1S/C11H19BrO2/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h10H,1-9H2
InChIKeyVXOUWLQWNZSWKD-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-ylmethoxymethyl)cyclohexan-1-amine
CID 64572264
1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
CID 65001391
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
4-hydroxy-4-(oxolan-2-ylmethoxymethyl)cyclohexane-1-carboxylic acid
CID 106497318
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
oxolan-2-ylmethyl hypochlorite
CID 22491519
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
ethane;oxolan-2-ylmethoxythallium
CID 142985824
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane (CID 65007578) is 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane is BrCC1(COCC2CCCO2)CCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane?
The InChIKey is VXOUWLQWNZSWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO2/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h10H,1-9H2.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane?
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane has a molecular weight of 263.17 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane is sourced from PubChem (CID 65007578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).