2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane

C11H22O3 — CID 123358235

IUPAC2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
SMILESCC(C)OCCC(C)(C)OCC1CO1
InChIInChI=1S/C11H22O3/c1-9(2)12-6-5-11(3,4)14-8-10-7-13-10/h9-10H,5-8H2,1-4H3
InChIKeyNIARQCLNVJIVRL-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.00
Rot. Bonds7

About 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane

2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane (PubChem CID 123358235) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
PubChem CID123358235
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
SMILESCC(C)OCCC(C)(C)OCC1CO1
InChIInChI=1S/C11H22O3/c1-9(2)12-6-5-11(3,4)14-8-10-7-13-10/h9-10H,5-8H2,1-4H3
InChIKeyNIARQCLNVJIVRL-UHFFFAOYSA-N
XLogP2.00
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
2-(propan-2-yloxymethyl)oxirane
CID 159998967
1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane
CID 155392929
2-(2,4,4,7,7,9,9-heptamethylundecan-2-yloxymethyl)oxirane
CID 123908896
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
CID 123361559
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
CID 90221696
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
CID 155574162

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane (CID 123358235) is 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane is CC(C)OCCC(C)(C)OCC1CO1.
What is the InChIKey of 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane?
The InChIKey is NIARQCLNVJIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)12-6-5-11(3,4)14-8-10-7-13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane?
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane has a molecular weight of 202.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 123358235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).