2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane

C12H22O4 — CID 11970724

IUPAC2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
SMILESCC(COCC1CO1)CC(C)OCC1CO1
InChIInChI=1S/C12H22O4/c1-9(4-13-5-11-7-15-11)3-10(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3
InChIKeyLIBCJUDSNJQSPY-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.23
Rot. Bonds9

About 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane

2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane (PubChem CID 11970724) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
PubChem CID11970724
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
SMILESCC(COCC1CO1)CC(C)OCC1CO1
InChIInChI=1S/C12H22O4/c1-9(4-13-5-11-7-15-11)3-10(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3
InChIKeyLIBCJUDSNJQSPY-UHFFFAOYSA-N
XLogP1.23
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.23
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

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CID 25090835
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CID 91809129
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CID 13401287
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CID 18459527
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CID 18794994
CID 18794994
CID 18980873
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CID 19369114
CID 19369114

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane (CID 11970724) is 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane is CC(COCC1CO1)CC(C)OCC1CO1.
What is the InChIKey of 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The InChIKey is LIBCJUDSNJQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-9(4-13-5-11-7-15-11)3-10(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane has a molecular weight of 230.30 g/mol, XLogP of 1.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 11970724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).