(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane

C10H20O2 — CID 134904895

IUPAC(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane
SMILESCCOC1C[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-11-9-6-8(4)10(12-9)7(2)3/h7-10H,5-6H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyNLBGXTXDGCXBDI-DJBFQZMMSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds3

About (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane

(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane (PubChem CID 134904895) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane.

Molecular Properties

Compound Name(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane
PubChem CID134904895
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane
SMILESCCOC1C[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-11-9-6-8(4)10(12-9)7(2)3/h7-10H,5-6H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyNLBGXTXDGCXBDI-DJBFQZMMSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane?
The IUPAC name of (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane (CID 134904895) is (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane.
What is the SMILES notation for (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane?
The canonical SMILES for (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane is CCOC1C[C@H](C)[C@@H](C(C)C)O1.
What is the InChIKey of (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane?
The InChIKey is NLBGXTXDGCXBDI-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-11-9-6-8(4)10(12-9)7(2)3/h7-10H,5-6H2,1-4H3/t8-,9?,10+/m0/s1.
What are the key properties of (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane?
(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane is sourced from PubChem (CID 134904895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).