(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane

C10H18O2 — CID 58779310

IUPAC(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane
SMILESC[C@H]1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C10H18O2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKeyJVRPWBJZONBLRH-LPEHRKFASA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds1

About (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane

(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane (PubChem CID 58779310) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane
PubChem CID58779310
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane
SMILESC[C@H]1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C10H18O2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKeyJVRPWBJZONBLRH-LPEHRKFASA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane?
The IUPAC name of (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane (CID 58779310) is (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane.
What is the SMILES notation for (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane?
The canonical SMILES for (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane is C[C@H]1CCO[C@@H]([C@@H]2CCCO2)C1.
What is the InChIKey of (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane?
The InChIKey is JVRPWBJZONBLRH-LPEHRKFASA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane?
(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane is sourced from PubChem (CID 58779310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).