[9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)

C30H28O7U — CID 163892503

About [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)

[9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+) (PubChem CID 163892503) has the molecular formula C30H28O7U and a molecular weight of 738.58 g/mol. Its IUPAC name is [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+).

Molecular Properties

• Compound Name: [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)
• PubChem CID: 163892503
• Molecular Formula: C30H28O7U
• Molecular Weight: 738.58 g/mol
• Exact Mass: 738.23
• IUPAC Name: [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)
• SMILES: C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)c2c(c1)-c1c[c-]cc(OC(=O)C(=C)C)c1C2C.C=C(C)[C-]=O.[U+2]
• InChI: InChI=1S/C26H23O6.C4H5O.U/c1-13(2)24(27)30-17-11-19-18-9-8-10-20(31-25(28)14(3)4)22(18)16(7)23(19)21(12-17)32-26(29)15(5)6;1-4(2)3-5;/h9-12,16H,1,3,5H2,2,4,6-7H3;1H2,2H3;/q2*-1;+2
• InChIKey: JIESAYKBTJKTML-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 95.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.58
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)?

The IUPAC name of [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+) (CID 163892503) is [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+).

What is the SMILES notation for [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)?

The canonical SMILES for [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+) is C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)c2c(c1)-c1c[c-]cc(OC(=O)C(=C)C)c1C2C.C=C(C)[C-]=O.[U+2].

What is the InChIKey of [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)?

The InChIKey is JIESAYKBTJKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O6.C4H5O.U/c1-13(2)24(27)30-17-11-19-18-9-8-10-20(31-25(28)14(3)4)22(18)16(7)23(19)21(12-17)32-26(29)15(5)6;1-4(2)3-5;/h9-12,16H,1,3,5H2,2,4,6-7H3;1H2,2H3;/q2*-1;+2.

What are the key properties of [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)?

[9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+) has a molecular weight of 738.58 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+) is sourced from PubChem (CID 163892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).