2-(3-bromo-4-methylpentyl)oxolane

C10H19BrO — CID 62550188

IUPAC2-(3-bromo-4-methylpentyl)oxolane
SMILESCC(C)C(Br)CCC1CCCO1
InChIInChI=1S/C10H19BrO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7H2,1-2H3
InChIKeyCOARHVBEWJVORK-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds4

About 2-(3-bromo-4-methylpentyl)oxolane

2-(3-bromo-4-methylpentyl)oxolane (PubChem CID 62550188) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylpentyl)oxolane.

Molecular Properties

Compound Name2-(3-bromo-4-methylpentyl)oxolane
PubChem CID62550188
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-(3-bromo-4-methylpentyl)oxolane
SMILESCC(C)C(Br)CCC1CCCO1
InChIInChI=1S/C10H19BrO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7H2,1-2H3
InChIKeyCOARHVBEWJVORK-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-(Bromomethyl)-5-cyclopropyloxolane
CID 130582466
3-Bromo-2'-ethyl-2,3'-bioxolane
CID 15700616
2-[2-(Bromomethyl)butyl]oxolane
CID 66041849
(2R)-2-[(1R)-1-bromohexyl]oxolane
CID 101547636
(2R,4R)-4-bromo-2-(2-methylpropyl)oxane
CID 102039282
(2R)-2-[(1S)-1-bromohexyl]oxolane
CID 135075476
(2S,6R)-4-bromo-2,6-di(propan-2-yl)oxane
CID 166449052
1-Bromo-7-ethoxy-3,7-dimethyloctane
CID 22749742
2-(4-Methylpentyl)oxolane
CID 23568648
2-(4-Bromo-3-methylbutyl)oxolane
CID 64670594
(2S,6R,7R)-2-bromo-7-methoxy-3,6-dimethyloctane
CID 130305966
5-(Bromomethyl)-2-propyloxane
CID 131983578

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylpentyl)oxolane?
The IUPAC name of 2-(3-bromo-4-methylpentyl)oxolane (CID 62550188) is 2-(3-bromo-4-methylpentyl)oxolane.
What is the SMILES notation for 2-(3-bromo-4-methylpentyl)oxolane?
The canonical SMILES for 2-(3-bromo-4-methylpentyl)oxolane is CC(C)C(Br)CCC1CCCO1.
What is the InChIKey of 2-(3-bromo-4-methylpentyl)oxolane?
The InChIKey is COARHVBEWJVORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylpentyl)oxolane?
2-(3-bromo-4-methylpentyl)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-(3-bromo-4-methylpentyl)oxolane is sourced from PubChem (CID 62550188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).