(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane

C14H19BrO — CID 102038461

IUPAC(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
SMILESCC(C)(Br)C1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H19BrO/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyKKBVVPUOTMNJOO-PZORYLMUSA-N
MW283.21 g/mol
LogP4.47
Rot. Bonds2

About (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane

(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane (PubChem CID 102038461) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane.

Molecular Properties

Compound Name(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
PubChem CID102038461
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
SMILESCC(C)(Br)C1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H19BrO/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyKKBVVPUOTMNJOO-PZORYLMUSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane?
The IUPAC name of (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane (CID 102038461) is (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane.
What is the SMILES notation for (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane?
The canonical SMILES for (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane is CC(C)(Br)C1CCC[C@H](c2ccccc2)O1.
What is the InChIKey of (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane?
The InChIKey is KKBVVPUOTMNJOO-PZORYLMUSA-N. The full InChI is InChI=1S/C14H19BrO/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane?
(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane has a molecular weight of 283.21 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-bromopropan-2-yl)-6-phenyloxane is sourced from PubChem (CID 102038461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).