(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

C9H20O2 — CID 90381386

IUPAC(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCOC[C@@H](C)COC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(6-10-5)7-11-9(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyYMXGFHFSBKRPGQ-MRVPVSSYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds4

About (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 90381386) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
PubChem CID90381386
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCOC[C@@H](C)COC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(6-10-5)7-11-9(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyYMXGFHFSBKRPGQ-MRVPVSSYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (CID 90381386) is (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane is COC[C@@H](C)COC(C)(C)C.
What is the InChIKey of (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is YMXGFHFSBKRPGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(6-10-5)7-11-9(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 90381386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).