(2R,6S)-4-bromo-2,6-dipentyloxane

C15H29BrO — CID 166449050

IUPAC(2R,6S)-4-bromo-2,6-dipentyloxane
SMILESCCCCC[C@@H]1CC(Br)C[C@H](CCCCC)O1
InChIInChI=1S/C15H29BrO/c1-3-5-7-9-14-11-13(16)12-15(17-14)10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13?,14-,15+
InChIKeyXADSZQNOHBZJST-GOOCMWNKSA-N
MW305.30 g/mol
LogP5.46
Rot. Bonds8

About (2R,6S)-4-bromo-2,6-dipentyloxane

(2R,6S)-4-bromo-2,6-dipentyloxane (PubChem CID 166449050) has the molecular formula C15H29BrO and a molecular weight of 305.30 g/mol. Its IUPAC name is (2R,6S)-4-bromo-2,6-dipentyloxane.

Molecular Properties

Compound Name(2R,6S)-4-bromo-2,6-dipentyloxane
PubChem CID166449050
Molecular FormulaC15H29BrO
Molecular Weight305.30 g/mol
Exact Mass304.14
IUPAC Name(2R,6S)-4-bromo-2,6-dipentyloxane
SMILESCCCCC[C@@H]1CC(Br)C[C@H](CCCCC)O1
InChIInChI=1S/C15H29BrO/c1-3-5-7-9-14-11-13(16)12-15(17-14)10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13?,14-,15+
InChIKeyXADSZQNOHBZJST-GOOCMWNKSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.30
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-bromo-2,6-dipentyloxane?
The IUPAC name of (2R,6S)-4-bromo-2,6-dipentyloxane (CID 166449050) is (2R,6S)-4-bromo-2,6-dipentyloxane.
What is the SMILES notation for (2R,6S)-4-bromo-2,6-dipentyloxane?
The canonical SMILES for (2R,6S)-4-bromo-2,6-dipentyloxane is CCCCC[C@@H]1CC(Br)C[C@H](CCCCC)O1.
What is the InChIKey of (2R,6S)-4-bromo-2,6-dipentyloxane?
The InChIKey is XADSZQNOHBZJST-GOOCMWNKSA-N. The full InChI is InChI=1S/C15H29BrO/c1-3-5-7-9-14-11-13(16)12-15(17-14)10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13?,14-,15+.
What are the key properties of (2R,6S)-4-bromo-2,6-dipentyloxane?
(2R,6S)-4-bromo-2,6-dipentyloxane has a molecular weight of 305.30 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-bromo-2,6-dipentyloxane is sourced from PubChem (CID 166449050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).