2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane

C15H28O4 — CID 88571612

IUPAC2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane
SMILESCC(CC(C)(C)OCC1CO1)OC(C)(C)CC1CO1
InChIInChI=1S/C15H28O4/c1-11(19-15(4,5)7-12-8-16-12)6-14(2,3)18-10-13-9-17-13/h11-13H,6-10H2,1-5H3
InChIKeyXRVFEVXVEOWXOQ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.54
Rot. Bonds9

About 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane

2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane (PubChem CID 88571612) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane
PubChem CID88571612
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane
SMILESCC(CC(C)(C)OCC1CO1)OC(C)(C)CC1CO1
InChIInChI=1S/C15H28O4/c1-11(19-15(4,5)7-12-8-16-12)6-14(2,3)18-10-13-9-17-13/h11-13H,6-10H2,1-5H3
InChIKeyXRVFEVXVEOWXOQ-UHFFFAOYSA-N
XLogP2.54
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane?
The IUPAC name of 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane (CID 88571612) is 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane.
What is the SMILES notation for 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane?
The canonical SMILES for 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane is CC(CC(C)(C)OCC1CO1)OC(C)(C)CC1CO1.
What is the InChIKey of 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane?
The InChIKey is XRVFEVXVEOWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(19-15(4,5)7-12-8-16-12)6-14(2,3)18-10-13-9-17-13/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane?
2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane has a molecular weight of 272.38 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane is sourced from PubChem (CID 88571612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).