2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H24O5 — CID 18620234

IUPAC2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(O)CC(C)(C)O
InChIInChI=1S/C6H10O3.C6H14O2/c1(5-3-8-5)7-2-6-4-9-6;1-5(7)4-6(2,3)8/h5-6H,1-4H2;5,7-8H,4H2,1-3H3
InChIKeyGZAHGSJNYQZIIQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.33
Rot. Bonds6

About 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 18620234) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID18620234
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(O)CC(C)(C)O
InChIInChI=1S/C6H10O3.C6H14O2/c1(5-3-8-5)7-2-6-4-9-6;1-5(7)4-6(2,3)8/h5-6H,1-4H2;5,7-8H,4H2,1-3H3
InChIKeyGZAHGSJNYQZIIQ-UHFFFAOYSA-N
XLogP0.33
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 18620234) is 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC(O)CC(C)(C)O.
What is the InChIKey of 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is GZAHGSJNYQZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H14O2/c1(5-3-8-5)7-2-6-4-9-6;1-5(7)4-6(2,3)8/h5-6H,1-4H2;5,7-8H,4H2,1-3H3.
What are the key properties of 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 248.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 18620234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).