(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane

C6H12Cl2O — CID 6931072

IUPAC(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
SMILESC[C@H](CCl)O[C@H](C)CCl
InChIInChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQCFYJCYNJLBDRT-PHDIDXHHSA-N
MW171.07 g/mol
LogP2.26
Rot. Bonds4

About (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane

(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane (PubChem CID 6931072) has the molecular formula C6H12Cl2O and a molecular weight of 171.07 g/mol. Its IUPAC name is (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane.

Molecular Properties

Compound Name(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
PubChem CID6931072
Molecular FormulaC6H12Cl2O
Molecular Weight171.07 g/mol
Exact Mass170.03
IUPAC Name(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
SMILESC[C@H](CCl)O[C@H](C)CCl
InChIInChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQCFYJCYNJLBDRT-PHDIDXHHSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol
CID 174498217
1-chloropropan-2-yloxysilane
CID 173192106
1-chloro-2-sulfanyloxypropane
CID 169091093
1,2-dichloropropane;titanium
CID 88762967
tris[(2R)-1-chloropropan-2-yl] phosphate
CID 91827061
1-chloro-2-ethenoxypropane
CID 139939057
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
azane;2-butan-2-yloxybutane
CID 87187028
1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
CID 4684876
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473
1-chloropropan-2-yl ethaneperoxoate
CID 87996667
1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
CID 158750835

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane?
The IUPAC name of (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane (CID 6931072) is (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane.
What is the SMILES notation for (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane?
The canonical SMILES for (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane is C[C@H](CCl)O[C@H](C)CCl.
What is the InChIKey of (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane?
The InChIKey is QCFYJCYNJLBDRT-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane?
(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane has a molecular weight of 171.07 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane is sourced from PubChem (CID 6931072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).