ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)

C185H368O80Y8 — CID 160831033

About ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)

ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium) (PubChem CID 160831033) has the molecular formula C185H368O80Y8 and a molecular weight of 4584.15 g/mol. Its IUPAC name is ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium).

Molecular Properties

• Compound Name: ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)
• PubChem CID: 160831033
• Molecular Formula: C185H368O80Y8
• Molecular Weight: 4584.15 g/mol
• Exact Mass: 4581.72
• IUPAC Name: ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)
• SMILES: CC.CC(C)(C)C(=O)OCCO.CC(C)(C)C(=O)OCCO.CCC(CO)OC(=O)C(C)(C)C.CCC(CO)OC(=O)C(C)(C)C.CCC(COC(=O)OC)OC(=O)OCCO.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C(=O)OCCO.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(O)COC(=O)C(C)(C)C.CCC(O)COC(=O)C(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C12H22O7.8C10H20O4.C9H16O7.4C9H18O3.4C8H16O4.2C7H14O3.C2H6.8Y/c1-5-9(8-18-11(15)16-4)19-12(2,3)10(14)17-7-6-13;4*1-6-8(14-9(11)12-5)7-13-10(2,3)4;4*1-6-8(14-10(2,3)4)7-13-9(11)12-5;1-3-7(6-15-8(11)13-2)16-9(12)14-5-4-10;2*1-5-7(10)6-12-8(11)9(2,3)4;2*1-5-7(6-10)12-8(11)9(2,3)4;4*1-8(2,3)12-6-5-11-7(9)10-4;2*1-7(2,3)6(9)10-5-4-8;1-2;;;;;;;;/h9,13H,5-8H2,1-4H3;8*8H,6-7H2,1-5H3;7,10H,3-6H2,1-2H3;4*7,10H,5-6H2,1-4H3;4*5-6H2,1-4H3;2*8H,4-5H2,1-3H3;1-2H3
• InChIKey: LTTPFJCGQNVMOB-UHFFFAOYSA-N
• XLogP: 34.34
• TPSA: 998.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 80
• Rotatable Bonds: 74
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4584.15
LogP ≤ 5	34.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	80

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)?

The IUPAC name of ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium) (CID 160831033) is ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium).

What is the SMILES notation for ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)?

The canonical SMILES for ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium) is CC.CC(C)(C)C(=O)OCCO.CC(C)(C)C(=O)OCCO.CCC(CO)OC(=O)C(C)(C)C.CCC(CO)OC(=O)C(C)(C)C.CCC(COC(=O)OC)OC(=O)OCCO.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C.CCC(COC(=O)OC)OC(C)(C)C(=O)OCCO.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(COC(C)(C)C)OC(=O)OC.CCC(O)COC(=O)C(C)(C)C.CCC(O)COC(=O)C(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.COC(=O)OCCOC(C)(C)C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)?

The InChIKey is LTTPFJCGQNVMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7.8C10H20O4.C9H16O7.4C9H18O3.4C8H16O4.2C7H14O3.C2H6.8Y/c1-5-9(8-18-11(15)16-4)19-12(2,3)10(14)17-7-6-13;4*1-6-8(14-9(11)12-5)7-13-10(2,3)4;4*1-6-8(14-10(2,3)4)7-13-9(11)12-5;1-3-7(6-15-8(11)13-2)16-9(12)14-5-4-10;2*1-5-7(10)6-12-8(11)9(2,3)4;2*1-5-7(6-10)12-8(11)9(2,3)4;4*1-8(2,3)12-6-5-11-7(9)10-4;2*1-7(2,3)6(9)10-5-4-8;1-2;;;;;;;;/h9,13H,5-8H2,1-4H3;8*8H,6-7H2,1-5H3;7,10H,3-6H2,1-2H3;4*7,10H,5-6H2,1-4H3;4*5-6H2,1-4H3;2*8H,4-5H2,1-3H3;1-2H3;;;;;;;;.

What are the key properties of ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium)?

ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium) has a molecular weight of 4584.15 g/mol, XLogP of 34.34, 74 rotatable bonds, 8 hydrogen bond donors, and 80 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;bis(1-hydroxybutan-2-yl 2,2-dimethylpropanoate);bis(2-hydroxybutyl 2,2-dimethylpropanoate);2-(2-hydroxyethoxycarbonyloxy)butyl methyl carbonate;bis(2-hydroxyethyl 2,2-dimethylpropanoate);2-hydroxyethyl 2-(1-methoxycarbonyloxybutan-2-yloxy)-2-methylpropanoate;tetrakis(methyl 1-[(2-methylpropan-2-yl)oxy]butan-2-yl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]butyl carbonate);tetrakis(methyl 2-[(2-methylpropan-2-yl)oxy]ethyl carbonate);octakis(yttrium) is sourced from PubChem (CID 160831033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).