1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane

C30H62O6 — CID 59660292

IUPAC1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OCC(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C30H62O6/c1-25(2,3)31-19-21(33-27(7,8)9)23(35-29(13,14)15)24(36-30(16,17)18)22(34-28(10,11)12)20-32-26(4,5)6/h21-24H,19-20H2,1-18H3
InChIKeyYXYGCJQCWWVLHU-UHFFFAOYSA-N
MW518.82 g/mol
LogP7.35
Rot. Bonds11

About 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane

1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 59660292) has the molecular formula C30H62O6 and a molecular weight of 518.82 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane
PubChem CID59660292
Molecular FormulaC30H62O6
Molecular Weight518.82 g/mol
Exact Mass518.45
IUPAC Name1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OCC(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C30H62O6/c1-25(2,3)31-19-21(33-27(7,8)9)23(35-29(13,14)15)24(36-30(16,17)18)22(34-28(10,11)12)20-32-26(4,5)6/h21-24H,19-20H2,1-18H3
InChIKeyYXYGCJQCWWVLHU-UHFFFAOYSA-N
XLogP7.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.82
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane (CID 59660292) is 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane is CC(C)(C)OCC(OC(C)(C)C)C(OC(C)(C)C)C(OC(C)(C)C)C(COC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is YXYGCJQCWWVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O6/c1-25(2,3)31-19-21(33-27(7,8)9)23(35-29(13,14)15)24(36-30(16,17)18)22(34-28(10,11)12)20-32-26(4,5)6/h21-24H,19-20H2,1-18H3.
What are the key properties of 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane?
1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 518.82 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 59660292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).