2-methyl-1,2-bis(prop-1-enoxy)propane

C₁₀H₁₈O₂ — CID 139984961

About 2-methyl-1,2-bis(prop-1-enoxy)propane

2-methyl-1,2-bis(prop-1-enoxy)propane (PubChem CID 139984961) has the molecular formula C₁₀H₁₈O₂ and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1,2-bis(prop-1-enoxy)propane.

Molecular Properties

• Compound Name: 2-methyl-1,2-bis(prop-1-enoxy)propane
• PubChem CID: 139984961
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25 g/mol
• Exact Mass: 170.13
• IUPAC Name: 2-methyl-1,2-bis(prop-1-enoxy)propane
• SMILES: CC=COCC(C)(C)OC=CC
• InChI: InChI=1S/C10H18O2/c1-5-7-11-9-10(3,4)12-8-6-2/h5-8H,9H2,1-4H3
• InChIKey: IOOGPAQVKOMPPR-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	170.25
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-bis(prop-1-enoxy)propane?

The IUPAC name of 2-methyl-1,2-bis(prop-1-enoxy)propane (CID 139984961) is 2-methyl-1,2-bis(prop-1-enoxy)propane.

What is the SMILES notation for 2-methyl-1,2-bis(prop-1-enoxy)propane?

The canonical SMILES for 2-methyl-1,2-bis(prop-1-enoxy)propane is CC=COCC(C)(C)OC=CC.

What is the InChIKey of 2-methyl-1,2-bis(prop-1-enoxy)propane?

The InChIKey is IOOGPAQVKOMPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-11-9-10(3,4)12-8-6-2/h5-8H,9H2,1-4H3.

What are the key properties of 2-methyl-1,2-bis(prop-1-enoxy)propane?

2-methyl-1,2-bis(prop-1-enoxy)propane has a molecular weight of 170.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,2-bis(prop-1-enoxy)propane is sourced from PubChem (CID 139984961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139984961 — identifiers, structure, computed properties (public domain)

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