2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane

C14H26O4 — CID 123361559

IUPAC2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
SMILESCC(OC(C)(C)CC1CO1)C(C)(C)OCC1CO1
InChIInChI=1S/C14H26O4/c1-10(14(4,5)17-9-12-8-16-12)18-13(2,3)6-11-7-15-11/h10-12H,6-9H2,1-5H3
InChIKeySWQPJVKORGQLKZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane

2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane (PubChem CID 123361559) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
PubChem CID123361559
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
SMILESCC(OC(C)(C)CC1CO1)C(C)(C)OCC1CO1
InChIInChI=1S/C14H26O4/c1-10(14(4,5)17-9-12-8-16-12)18-13(2,3)6-11-7-15-11/h10-12H,6-9H2,1-5H3
InChIKeySWQPJVKORGQLKZ-UHFFFAOYSA-N
XLogP2.15
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
CID 134255520
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
2-[[4-ethyl-5-(oxiran-2-ylmethoxy)-4-[1-(oxiran-2-ylmethoxy)propyl]heptan-3-yl]oxymethyl]oxirane
CID 87949795
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-(2-methoxy-2-methylbutyl)oxirane
CID 88854677

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane?
The IUPAC name of 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane (CID 123361559) is 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane.
What is the SMILES notation for 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane?
The canonical SMILES for 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane is CC(OC(C)(C)CC1CO1)C(C)(C)OCC1CO1.
What is the InChIKey of 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane?
The InChIKey is SWQPJVKORGQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(14(4,5)17-9-12-8-16-12)18-13(2,3)6-11-7-15-11/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane?
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane has a molecular weight of 258.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane is sourced from PubChem (CID 123361559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).