2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane

C11H21BrO2 — CID 121222164

IUPAC2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane
SMILESC[C@@H](CCBr)CCCCC1OCCO1
InChIInChI=1S/C11H21BrO2/c1-10(6-7-12)4-2-3-5-11-13-8-9-14-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyIBWUWGGCRKUEGA-SNVBAGLBSA-N
MW265.19 g/mol
LogP3.34
Rot. Bonds7

About 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane

2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane (PubChem CID 121222164) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane
PubChem CID121222164
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane
SMILESC[C@@H](CCBr)CCCCC1OCCO1
InChIInChI=1S/C11H21BrO2/c1-10(6-7-12)4-2-3-5-11-13-8-9-14-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyIBWUWGGCRKUEGA-SNVBAGLBSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane?
The IUPAC name of 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane (CID 121222164) is 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane?
The canonical SMILES for 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane is C[C@@H](CCBr)CCCCC1OCCO1.
What is the InChIKey of 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane?
The InChIKey is IBWUWGGCRKUEGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-10(6-7-12)4-2-3-5-11-13-8-9-14-11/h10-11H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane?
2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane has a molecular weight of 265.19 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-bromo-5-methylheptyl]-1,3-dioxolane is sourced from PubChem (CID 121222164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).