2-(3-bromo-2-methylpropyl)oxolane

C8H15BrO — CID 66049606

IUPAC2-(3-bromo-2-methylpropyl)oxolane
SMILESCC(CBr)CC1CCCO1
InChIInChI=1S/C8H15BrO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3
InChIKeyVATPVMPXMHCDFF-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-bromo-2-methylpropyl)oxolane

2-(3-bromo-2-methylpropyl)oxolane (PubChem CID 66049606) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropyl)oxolane.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropyl)oxolane
PubChem CID66049606
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name2-(3-bromo-2-methylpropyl)oxolane
SMILESCC(CBr)CC1CCCO1
InChIInChI=1S/C8H15BrO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3
InChIKeyVATPVMPXMHCDFF-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.59
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

(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
2-(3-bromo-2-fluoropropyl)oxane
CID 122239838
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
CID 114899221
(2R)-2-(2-methylpropyl)oxane
CID 58653197
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
CID 54185574
(2S)-2-[2-(bromomethyl)pent-4-enyl]oxolane
CID 165447176
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-(2,3-dimethylbutyl)oxane
CID 167069415

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpropyl)oxolane?
The IUPAC name of 2-(3-bromo-2-methylpropyl)oxolane (CID 66049606) is 2-(3-bromo-2-methylpropyl)oxolane.
What is the SMILES notation for 2-(3-bromo-2-methylpropyl)oxolane?
The canonical SMILES for 2-(3-bromo-2-methylpropyl)oxolane is CC(CBr)CC1CCCO1.
What is the InChIKey of 2-(3-bromo-2-methylpropyl)oxolane?
The InChIKey is VATPVMPXMHCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(3-bromo-2-methylpropyl)oxolane?
2-(3-bromo-2-methylpropyl)oxolane has a molecular weight of 207.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropyl)oxolane is sourced from PubChem (CID 66049606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).