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

C33H68O6 — CID 11478535

IUPAC2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C33H68O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-30(3)25-37-32(5)27-39-33(6)28-38-31(4)26-36-29(2)24-34/h29-34H,7-28H2,1-6H3
InChIKeyNZUDYTVFYRIKMP-UHFFFAOYSA-N
MW560.90 g/mol
LogP8.27
Rot. Bonds31

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

2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 11478535) has the molecular formula C33H68O6 and a molecular weight of 560.90 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
PubChem CID11478535
Molecular FormulaC33H68O6
Molecular Weight560.90 g/mol
Exact Mass560.50
IUPAC Name2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C33H68O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-30(3)25-37-32(5)27-39-33(6)28-38-31(4)26-36-29(2)24-34/h29-34H,7-28H2,1-6H3
InChIKeyNZUDYTVFYRIKMP-UHFFFAOYSA-N
XLogP8.27
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.90
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-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-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
methane;2-octadecoxypropan-1-ol
CID 178185801
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol (CID 11478535) is 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol is CCCCCCCCCCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is NZUDYTVFYRIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-30(3)25-37-32(5)27-39-33(6)28-38-31(4)26-36-29(2)24-34/h29-34H,7-28H2,1-6H3.
What are the key properties of 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 560.90 g/mol, XLogP of 8.27, 31 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 11478535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).