2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane

C14H26O3 — CID 57236649

IUPAC2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane
SMILESCCC(C)C(OC(C(C)CC)C1CO1)C1CO1
InChIInChI=1S/C14H26O3/c1-5-9(3)13(11-7-15-11)17-14(10(4)6-2)12-8-16-12/h9-14H,5-8H2,1-4H3
InChIKeyNOGTWHJPKFDNEF-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane

2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane (PubChem CID 57236649) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane
PubChem CID57236649
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane
SMILESCCC(C)C(OC(C(C)CC)C1CO1)C1CO1
InChIInChI=1S/C14H26O3/c1-5-9(3)13(11-7-15-11)17-14(10(4)6-2)12-8-16-12/h9-14H,5-8H2,1-4H3
InChIKeyNOGTWHJPKFDNEF-UHFFFAOYSA-N
XLogP2.63
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane?
The IUPAC name of 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane (CID 57236649) is 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane.
What is the SMILES notation for 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane?
The canonical SMILES for 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane is CCC(C)C(OC(C(C)CC)C1CO1)C1CO1.
What is the InChIKey of 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane?
The InChIKey is NOGTWHJPKFDNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-9(3)13(11-7-15-11)17-14(10(4)6-2)12-8-16-12/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane?
2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane has a molecular weight of 242.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[2-methyl-1-(oxiran-2-yl)butoxy]butyl]oxirane is sourced from PubChem (CID 57236649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).