2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione

C30H58O6 — CID 169283748

IUPAC2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione
SMILESCC(C)(C)OC(C(=O)C(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C30H58O6/c1-25(2,3)23(31)21(35-29(13,14)15)19(33-27(7,8)9)20(34-28(10,11)12)22(36-30(16,17)18)24(32)26(4,5)6/h19-22H,1-18H3
InChIKeyDVFCJURSJQXLSN-UHFFFAOYSA-N
MW514.79 g/mol
LogP6.95
Rot. Bonds9

About 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione

2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione (PubChem CID 169283748) has the molecular formula C30H58O6 and a molecular weight of 514.79 g/mol. Its IUPAC name is 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione.

Molecular Properties

Compound Name2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione
PubChem CID169283748
Molecular FormulaC30H58O6
Molecular Weight514.79 g/mol
Exact Mass514.42
IUPAC Name2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione
SMILESCC(C)(C)OC(C(=O)C(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C30H58O6/c1-25(2,3)23(31)21(35-29(13,14)15)19(33-27(7,8)9)20(34-28(10,11)12)22(36-30(16,17)18)24(32)26(4,5)6/h19-22H,1-18H3
InChIKeyDVFCJURSJQXLSN-UHFFFAOYSA-N
XLogP6.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.79
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione?
The IUPAC name of 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione (CID 169283748) is 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione.
What is the SMILES notation for 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione?
The canonical SMILES for 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione is CC(C)(C)OC(C(=O)C(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione?
The InChIKey is DVFCJURSJQXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O6/c1-25(2,3)23(31)21(35-29(13,14)15)19(33-27(7,8)9)20(34-28(10,11)12)22(36-30(16,17)18)24(32)26(4,5)6/h19-22H,1-18H3.
What are the key properties of 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione?
2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione has a molecular weight of 514.79 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione is sourced from PubChem (CID 169283748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).