(3R)-3-methyloxane;(3R)-3-methyloxolane

C11H22O2 — CID 159772369

IUPAC(3R)-3-methyloxane;(3R)-3-methyloxolane
SMILESC[C@@H]1CCCOC1.C[C@@H]1CCOC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3/t6-;5-/m11/s1
InChIKeyNGGXURUUZQKJGD-KWNMGZQDSA-N
MW186.29 g/mol
LogP2.48
Rot. Bonds

About (3R)-3-methyloxane;(3R)-3-methyloxolane

(3R)-3-methyloxane;(3R)-3-methyloxolane (PubChem CID 159772369) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3R)-3-methyloxane;(3R)-3-methyloxolane.

Molecular Properties

Compound Name(3R)-3-methyloxane;(3R)-3-methyloxolane
PubChem CID159772369
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3R)-3-methyloxane;(3R)-3-methyloxolane
SMILESC[C@@H]1CCCOC1.C[C@@H]1CCOC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3/t6-;5-/m11/s1
InChIKeyNGGXURUUZQKJGD-KWNMGZQDSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyloxane;(3R)-3-methyloxolane?
The IUPAC name of (3R)-3-methyloxane;(3R)-3-methyloxolane (CID 159772369) is (3R)-3-methyloxane;(3R)-3-methyloxolane.
What is the SMILES notation for (3R)-3-methyloxane;(3R)-3-methyloxolane?
The canonical SMILES for (3R)-3-methyloxane;(3R)-3-methyloxolane is C[C@@H]1CCCOC1.C[C@@H]1CCOC1.
What is the InChIKey of (3R)-3-methyloxane;(3R)-3-methyloxolane?
The InChIKey is NGGXURUUZQKJGD-KWNMGZQDSA-N. The full InChI is InChI=1S/C6H12O.C5H10O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3/t6-;5-/m11/s1.
What are the key properties of (3R)-3-methyloxane;(3R)-3-methyloxolane?
(3R)-3-methyloxane;(3R)-3-methyloxolane has a molecular weight of 186.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyloxane;(3R)-3-methyloxolane is sourced from PubChem (CID 159772369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).