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

C11H22O2 — CID 36688279

IUPAC(2R)-2-[[(2R)-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+/m1/s1
InChIKeyBBBUAWSVILPJLL-MNOVXSKESA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds8

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

(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane (PubChem CID 36688279) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
PubChem CID36688279
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2R)-2-[[(2R)-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+/m1/s1
InChIKeyBBBUAWSVILPJLL-MNOVXSKESA-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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Related Compounds

2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
CID 126510361
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-(3-propylheptoxymethyl)oxirane
CID 169085823
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
aniline;N,N-dimethylaniline;2-(2-ethyloctoxymethyl)oxirane
CID 160951593
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
carbon dioxide;4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one;2-(2-propylheptoxymethyl)oxirane
CID 158637776
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
CID 174658525

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane (CID 36688279) is (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane is CCCC[C@@H](CC)COC[C@H]1CO1.
What is the InChIKey of (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane?
The InChIKey is BBBUAWSVILPJLL-MNOVXSKESA-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+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane?
(2R)-2-[[(2R)-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 (2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane is sourced from PubChem (CID 36688279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).