3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol

C30H52O7 — CID 139935126

About 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol

3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol (PubChem CID 139935126) has the molecular formula C30H52O7 and a molecular weight of 524.74 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol.

Molecular Properties

• Compound Name: 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol
• PubChem CID: 139935126
• Molecular Formula: C30H52O7
• Molecular Weight: 524.74 g/mol
• Exact Mass: 524.37
• IUPAC Name: 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol
• SMILES: C=C(C)COCC(CO)(COCC(=C)C)COCC(COCC(=C)C)(COCC(=C)C)COCC(=C)C
• InChI: InChI=1S/C30H52O7/c1-24(2)11-32-17-29(16-31,18-33-12-25(3)4)19-37-23-30(20-34-13-26(5)6,21-35-14-27(7)8)22-36-15-28(9)10/h31H,1,3,5,7,9,11-23H2,2,4,6,8,10H3
• InChIKey: ZLWXKKVDHDWKHU-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.74
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol?

The IUPAC name of 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol (CID 139935126) is 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol.

What is the SMILES notation for 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol?

The canonical SMILES for 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol is C=C(C)COCC(CO)(COCC(=C)C)COCC(COCC(=C)C)(COCC(=C)C)COCC(=C)C.

What is the InChIKey of 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol?

The InChIKey is ZLWXKKVDHDWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O7/c1-24(2)11-32-17-29(16-31,18-33-12-25(3)4)19-37-23-30(20-34-13-26(5)6,21-35-14-27(7)8)22-36-15-28(9)10/h31H,1,3,5,7,9,11-23H2,2,4,6,8,10H3.

What are the key properties of 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol?

3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol has a molecular weight of 524.74 g/mol, XLogP of 4.93, 25 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol is sourced from PubChem (CID 139935126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).