(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane

C18H19BrO — CID 125472801

IUPAC(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
SMILESC[C@@H]1O[C@@H](CBr)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19BrO/c1-14-18(12-17(13-19)20-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyDABTWCBLGBLSDI-WMLDXEAASA-N
MW331.25 g/mol
LogP4.55
Rot. Bonds3

About (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane

(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane (PubChem CID 125472801) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane.

Molecular Properties

Compound Name(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
PubChem CID125472801
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
SMILESC[C@@H]1O[C@@H](CBr)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19BrO/c1-14-18(12-17(13-19)20-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyDABTWCBLGBLSDI-WMLDXEAASA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.55
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 (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane?
The IUPAC name of (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane (CID 125472801) is (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane.
What is the SMILES notation for (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane?
The canonical SMILES for (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane is C[C@@H]1O[C@@H](CBr)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane?
The InChIKey is DABTWCBLGBLSDI-WMLDXEAASA-N. The full InChI is InChI=1S/C18H19BrO/c1-14-18(12-17(13-19)20-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane?
(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane has a molecular weight of 331.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane is sourced from PubChem (CID 125472801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).