(3R)-3-[(3S)-oxan-3-yl]oxane

C10H18O2 — CID 122223544

IUPAC(3R)-3-[(3S)-oxan-3-yl]oxane
SMILESC1COC[C@H]([C@H]2CCCOC2)C1
InChIInChI=1S/C10H18O2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h9-10H,1-8H2/t9-,10+
InChIKeyLIAYYVLENAYKLG-AOOOYVTPSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds1

About (3R)-3-[(3S)-oxan-3-yl]oxane

(3R)-3-[(3S)-oxan-3-yl]oxane (PubChem CID 122223544) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3-[(3S)-oxan-3-yl]oxane.

Molecular Properties

Compound Name(3R)-3-[(3S)-oxan-3-yl]oxane
PubChem CID122223544
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3-[(3S)-oxan-3-yl]oxane
SMILESC1COC[C@H]([C@H]2CCCOC2)C1
InChIInChI=1S/C10H18O2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h9-10H,1-8H2/t9-,10+
InChIKeyLIAYYVLENAYKLG-AOOOYVTPSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-oxan-3-yl]oxane?
The IUPAC name of (3R)-3-[(3S)-oxan-3-yl]oxane (CID 122223544) is (3R)-3-[(3S)-oxan-3-yl]oxane.
What is the SMILES notation for (3R)-3-[(3S)-oxan-3-yl]oxane?
The canonical SMILES for (3R)-3-[(3S)-oxan-3-yl]oxane is C1COC[C@H]([C@H]2CCCOC2)C1.
What is the InChIKey of (3R)-3-[(3S)-oxan-3-yl]oxane?
The InChIKey is LIAYYVLENAYKLG-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h9-10H,1-8H2/t9-,10+.
What are the key properties of (3R)-3-[(3S)-oxan-3-yl]oxane?
(3R)-3-[(3S)-oxan-3-yl]oxane has a molecular weight of 170.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-oxan-3-yl]oxane is sourced from PubChem (CID 122223544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).