2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium

C10H20O3Zr — CID 87744459

IUPAC2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
SMILESCC(C)(O)CCCCOCC1CO1.[Zr]
InChIInChI=1S/C10H20O3.Zr/c1-10(2,11)5-3-4-6-12-7-9-8-13-9;/h9,11H,3-8H2,1-2H3;
InChIKeyVBGAKMMMWGUXTG-UHFFFAOYSA-N
MW279.49 g/mol
LogP1.34
Rot. Bonds7

About 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium

2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium (PubChem CID 87744459) has the molecular formula C10H20O3Zr and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium.

Molecular Properties

Compound Name2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
PubChem CID87744459
Molecular FormulaC10H20O3Zr
Molecular Weight279.49 g/mol
Exact Mass278.05
IUPAC Name2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
SMILESCC(C)(O)CCCCOCC1CO1.[Zr]
InChIInChI=1S/C10H20O3.Zr/c1-10(2,11)5-3-4-6-12-7-9-8-13-9;/h9,11H,3-8H2,1-2H3;
InChIKeyVBGAKMMMWGUXTG-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-(pentoxymethyl)oxirane
CID 160890113
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium?
The IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium (CID 87744459) is 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium.
What is the SMILES notation for 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium?
The canonical SMILES for 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium is CC(C)(O)CCCCOCC1CO1.[Zr].
What is the InChIKey of 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium?
The InChIKey is VBGAKMMMWGUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.Zr/c1-10(2,11)5-3-4-6-12-7-9-8-13-9;/h9,11H,3-8H2,1-2H3;.
What are the key properties of 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium?
2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium has a molecular weight of 279.49 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium is sourced from PubChem (CID 87744459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).