(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane

C11H22O2 — CID 36688282

IUPAC(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane
SMILESCCCC[C@H](CC)COC[C@@H]1CO1
InChIInChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyBBBUAWSVILPJLL-WDEREUQCSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds8

About (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane

(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane (PubChem CID 36688282) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane
PubChem CID36688282
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane
SMILESCCCC[C@H](CC)COC[C@@H]1CO1
InChIInChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyBBBUAWSVILPJLL-WDEREUQCSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
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 (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane (CID 36688282) is (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane is CCCC[C@H](CC)COC[C@@H]1CO1.
What is the InChIKey of (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane?
The InChIKey is BBBUAWSVILPJLL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane?
(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane is sourced from PubChem (CID 36688282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).