(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane

C9H18O2 — CID 146202186

IUPAC(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane
SMILESCCOC[C@@H]1C[C@@H](CC)CO1
InChIInChI=1S/C9H18O2/c1-3-8-5-9(11-6-8)7-10-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBQJLHVVKUFBLCQ-BDAKNGLRSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds4

About (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane

(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane (PubChem CID 146202186) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane
PubChem CID146202186
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane
SMILESCCOC[C@@H]1C[C@@H](CC)CO1
InChIInChI=1S/C9H18O2/c1-3-8-5-9(11-6-8)7-10-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBQJLHVVKUFBLCQ-BDAKNGLRSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-2-(methoxymethyl)-3,5-dimethyloxolane
CID 59875108
(3S)-3-methyl-2-(propoxymethyl)-5-(trifluoromethyl)oxolane
CID 164104919
(2S,3R,5S)-3-fluoro-5-(methoxymethyl)-2,3-dimethyloxolane
CID 170263418
3-Methoxy-4-(2-methylbutyl)oxolane
CID 59491023
2-(3-Methylbutan-2-yloxymethyl)oxolane
CID 77457674
4-Butyl-2-(methoxymethyl)oxolane
CID 140190805
3-Butyl-2-(methoxymethyl)oxolane
CID 140190927
3-Ethyl-2-(methoxymethyl)oxolane
CID 140191019
4-Ethyl-2-(methoxymethyl)oxolane
CID 140191131
2-(3-Methylbutoxymethyl)oxolane
CID 144332395
tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane
CID 11590114
copper(1+);(2R,4S)-2-[(1S)-1-methoxyethyl]-4-methyl-2,3,4,5-tetrahydrofuran-5-ide
CID 16689209

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane?
The IUPAC name of (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane (CID 146202186) is (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane.
What is the SMILES notation for (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane?
The canonical SMILES for (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane is CCOC[C@@H]1C[C@@H](CC)CO1.
What is the InChIKey of (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane?
The InChIKey is BQJLHVVKUFBLCQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-8-5-9(11-6-8)7-10-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane?
(2S,4R)-2-(ethoxymethyl)-4-ethyloxolane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(ethoxymethyl)-4-ethyloxolane is sourced from PubChem (CID 146202186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).