(3R)-3-methyloxane

C6H12O — CID 58394480

IUPAC(3R)-3-methyloxane
SMILESC[C@@H]1CCCOC1
InChIInChI=1S/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyUJQZTMFRMLEYQN-ZCFIWIBFSA-N
MW100.16 g/mol
LogP1.43
Rot. Bonds

About (3R)-3-methyloxane

(3R)-3-methyloxane (PubChem CID 58394480) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (3R)-3-methyloxane.

Molecular Properties

Compound Name(3R)-3-methyloxane
PubChem CID58394480
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(3R)-3-methyloxane
SMILESC[C@@H]1CCCOC1
InChIInChI=1S/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyUJQZTMFRMLEYQN-ZCFIWIBFSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyloxane?
The IUPAC name of (3R)-3-methyloxane (CID 58394480) is (3R)-3-methyloxane.
What is the SMILES notation for (3R)-3-methyloxane?
The canonical SMILES for (3R)-3-methyloxane is C[C@@H]1CCCOC1.
What is the InChIKey of (3R)-3-methyloxane?
The InChIKey is UJQZTMFRMLEYQN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-methyloxane?
(3R)-3-methyloxane has a molecular weight of 100.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyloxane is sourced from PubChem (CID 58394480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).