2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane

C11H22O2 — CID 91253331

IUPAC2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane
SMILESCCOCCC(C(C)C)C1OC1C
InChIInChI=1S/C11H22O2/c1-5-12-7-6-10(8(2)3)11-9(4)13-11/h8-11H,5-7H2,1-4H3
InChIKeyWQVOZQLOCRPOAP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.47
Rot. Bonds6

About 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane

2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane (PubChem CID 91253331) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane
PubChem CID91253331
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane
SMILESCCOCCC(C(C)C)C1OC1C
InChIInChI=1S/C11H22O2/c1-5-12-7-6-10(8(2)3)11-9(4)13-11/h8-11H,5-7H2,1-4H3
InChIKeyWQVOZQLOCRPOAP-UHFFFAOYSA-N
XLogP2.47
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Ethoxypentyl)-3-ethyl-2-(propan-2-yl)oxirane
CID 13215874
1-Ethoxy-3-(ethoxymethyl)cyclopentane
CID 15543953
4-[[(2R)-oxiran-2-yl]methyl]oxane
CID 15939149
2-[1-(Oxiran-2-yl)propan-2-yl]oxirane
CID 21359602
2-[Bis(oxiran-2-yl)methyl]-3-methyloxirane
CID 57206185
2-[2,4-Bis(oxiran-2-yl)pentan-3-yl]oxirane
CID 57857611
3-(3-Methyl-1-propan-2-yloxybutan-2-yl)oxolane
CID 58499108
2-[2-Ethyl-2-(3-ethylpentoxy)butyl]oxirane
CID 88863830
2-(4-Methoxy-2-methylpentan-2-yl)oxirane
CID 88964647
3-(1-Propan-2-yloxybutan-2-yl)oxolane
CID 89109261
2-Methyl-4-(2-methyloxiran-2-yl)oxane
CID 89260335
2-Methyl-3-[2-(oxiran-2-yl)butyl]oxirane
CID 89276641

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane?
The IUPAC name of 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane (CID 91253331) is 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane.
What is the SMILES notation for 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane?
The canonical SMILES for 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane is CCOCCC(C(C)C)C1OC1C.
What is the InChIKey of 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane?
The InChIKey is WQVOZQLOCRPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-12-7-6-10(8(2)3)11-9(4)13-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane?
2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylpentan-3-yl)-3-methyloxirane is sourced from PubChem (CID 91253331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).