2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate

C33H66O9 — CID 122450995

IUPAC2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
SMILESCCC(CO)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C33H66O9/c1-11-26(18-34)36-20-27(12-2)37-21-28(13-3)38-22-29(14-4)39-23-30(15-5)40-24-31(16-6)42-25(8)19-41-32(35)33(9,10)17-7/h25-31,34H,11-24H2,1-10H3
InChIKeyNSOCPZDBGCTCPU-UHFFFAOYSA-N
MW606.88 g/mol
LogP6.12
Rot. Bonds28

About 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate

2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate (PubChem CID 122450995) has the molecular formula C33H66O9 and a molecular weight of 606.88 g/mol. Its IUPAC name is 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
PubChem CID122450995
Molecular FormulaC33H66O9
Molecular Weight606.88 g/mol
Exact Mass606.47
IUPAC Name2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
SMILESCCC(CO)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C33H66O9/c1-11-26(18-34)36-20-27(12-2)37-21-28(13-3)38-22-29(14-4)39-23-30(15-5)40-24-31(16-6)42-25(8)19-41-32(35)33(9,10)17-7/h25-31,34H,11-24H2,1-10H3
InChIKeyNSOCPZDBGCTCPU-UHFFFAOYSA-N
XLogP6.12
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.88
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate (CID 122450995) is 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate is CCC(CO)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OCC(CC)OC(C)COC(=O)C(C)(C)CC.
What is the InChIKey of 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate?
The InChIKey is NSOCPZDBGCTCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66O9/c1-11-26(18-34)36-20-27(12-2)37-21-28(13-3)38-22-29(14-4)39-23-30(15-5)40-24-31(16-6)42-25(8)19-41-32(35)33(9,10)17-7/h25-31,34H,11-24H2,1-10H3.
What are the key properties of 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate?
2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate has a molecular weight of 606.88 g/mol, XLogP of 6.12, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate is sourced from PubChem (CID 122450995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).