2-[2-(bromomethyl)-2-methylbutyl]oxolane

C10H19BrO — CID 66050711

IUPAC2-[2-(bromomethyl)-2-methylbutyl]oxolane
SMILESCCC(C)(CBr)CC1CCCO1
InChIInChI=1S/C10H19BrO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-8H2,1-2H3
InChIKeyRDLAJGYEOCBDOG-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds4

About 2-[2-(bromomethyl)-2-methylbutyl]oxolane

2-[2-(bromomethyl)-2-methylbutyl]oxolane (PubChem CID 66050711) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbutyl]oxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbutyl]oxolane
PubChem CID66050711
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-[2-(bromomethyl)-2-methylbutyl]oxolane
SMILESCCC(C)(CBr)CC1CCCO1
InChIInChI=1S/C10H19BrO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-8H2,1-2H3
InChIKeyRDLAJGYEOCBDOG-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
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-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
4-[2-(bromomethyl)-2-methylbutyl]oxane
CID 66050045
2-ethyl-2-(oxolan-2-ylmethyl)butan-1-amine
CID 62724509
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
(2R)-2-ethyloxolane
CID 641529
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbutyl]oxolane?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbutyl]oxolane (CID 66050711) is 2-[2-(bromomethyl)-2-methylbutyl]oxolane.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbutyl]oxolane?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbutyl]oxolane is CCC(C)(CBr)CC1CCCO1.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbutyl]oxolane?
The InChIKey is RDLAJGYEOCBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbutyl]oxolane?
2-[2-(bromomethyl)-2-methylbutyl]oxolane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 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-methylbutyl]oxolane is sourced from PubChem (CID 66050711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).