2-(5-bromoheptyl)oxolane

C11H21BrO — CID 65166211

IUPAC2-(5-bromoheptyl)oxolane
SMILESCCC(Br)CCCCC1CCCO1
InChIInChI=1S/C11H21BrO/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h10-11H,2-9H2,1H3
InChIKeySZWNZYDBQVCQSQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.90
Rot. Bonds6

About 2-(5-bromoheptyl)oxolane

2-(5-bromoheptyl)oxolane (PubChem CID 65166211) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(5-bromoheptyl)oxolane.

Molecular Properties

Compound Name2-(5-bromoheptyl)oxolane
PubChem CID65166211
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name2-(5-bromoheptyl)oxolane
SMILESCCC(Br)CCCCC1CCCO1
InChIInChI=1S/C11H21BrO/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h10-11H,2-9H2,1H3
InChIKeySZWNZYDBQVCQSQ-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
2-tetradecyloxolane
CID 10683364
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
2-(3-bromopropyl)oxolane
CID 15783712
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-[7-methyl-6-[3-methyl-9-(oxan-2-yl)nonan-4-yl]sulfanylnonyl]oxane
CID 54258088
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-hexyloxolane;oxolane
CID 173130151
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoheptyl)oxolane?
The IUPAC name of 2-(5-bromoheptyl)oxolane (CID 65166211) is 2-(5-bromoheptyl)oxolane.
What is the SMILES notation for 2-(5-bromoheptyl)oxolane?
The canonical SMILES for 2-(5-bromoheptyl)oxolane is CCC(Br)CCCCC1CCCO1.
What is the InChIKey of 2-(5-bromoheptyl)oxolane?
The InChIKey is SZWNZYDBQVCQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-2-10(12)6-3-4-7-11-8-5-9-13-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-(5-bromoheptyl)oxolane?
2-(5-bromoheptyl)oxolane has a molecular weight of 249.19 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoheptyl)oxolane is sourced from PubChem (CID 65166211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).