(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane

C10H18O2 — CID 97358960

IUPAC(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane
SMILESC[C@H]1CCO[C@@H]([C@@H]2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyWJXPSIYAXOVSRJ-YIZRAAEISA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds1

About (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane

(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane (PubChem CID 97358960) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane.

Molecular Properties

Compound Name(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane
PubChem CID97358960
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane
SMILESC[C@H]1CCO[C@@H]([C@@H]2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyWJXPSIYAXOVSRJ-YIZRAAEISA-N
XLogP1.98
TPSA21.76 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane?
The IUPAC name of (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane (CID 97358960) is (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane.
What is the SMILES notation for (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane?
The canonical SMILES for (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane is C[C@H]1CCO[C@@H]([C@@H]2OC2(C)C)C1.
What is the InChIKey of (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane?
The InChIKey is WJXPSIYAXOVSRJ-YIZRAAEISA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane?
(2R,4S)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane 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)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-methyloxane is sourced from PubChem (CID 97358960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).