2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

C34H70O11 — CID 88651680

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCCCCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C34H70O11/c1-12-13-14-36-26(3)16-38-28(5)18-40-30(7)20-42-32(9)22-44-34(11)24-45-33(10)23-43-31(8)21-41-29(6)19-39-27(4)17-37-25(2)15-35/h25-35H,12-24H2,1-11H3
InChIKeyUNYLVTCOOPRFDI-UHFFFAOYSA-N
MW654.92 g/mol
LogP4.83
Rot. Bonds32

About 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 88651680) has the molecular formula C34H70O11 and a molecular weight of 654.92 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID88651680
Molecular FormulaC34H70O11
Molecular Weight654.92 g/mol
Exact Mass654.49
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCCCCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C34H70O11/c1-12-13-14-36-26(3)16-38-28(5)18-40-30(7)20-42-32(9)22-44-34(11)24-45-33(10)23-43-31(8)21-41-29(6)19-39-27(4)17-37-25(2)15-35/h25-35H,12-24H2,1-11H3
InChIKeyUNYLVTCOOPRFDI-UHFFFAOYSA-N
XLogP4.83
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
methane;2-octadecoxypropan-1-ol
CID 178185801
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 88651680) is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is CCCCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is UNYLVTCOOPRFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O11/c1-12-13-14-36-26(3)16-38-28(5)18-40-30(7)20-42-32(9)22-44-34(11)24-45-33(10)23-43-31(8)21-41-29(6)19-39-27(4)17-37-25(2)15-35/h25-35H,12-24H2,1-11H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 654.92 g/mol, XLogP of 4.83, 32 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 88651680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).