2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane

C10H20O2 — CID 22768316

IUPAC2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane
SMILESCC1OC1CCCOC(C)(C)C
InChIInChI=1S/C10H20O2/c1-8-9(12-8)6-5-7-11-10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyDJRFYYLZHVMNKD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane

2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane (PubChem CID 22768316) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane
PubChem CID22768316
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane
SMILESCC1OC1CCCOC(C)(C)C
InChIInChI=1S/C10H20O2/c1-8-9(12-8)6-5-7-11-10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyDJRFYYLZHVMNKD-UHFFFAOYSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane?
The IUPAC name of 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane (CID 22768316) is 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane.
What is the SMILES notation for 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane?
The canonical SMILES for 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane is CC1OC1CCCOC(C)(C)C.
What is the InChIKey of 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane?
The InChIKey is DJRFYYLZHVMNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8-9(12-8)6-5-7-11-10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane?
2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane is sourced from PubChem (CID 22768316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).