1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol

C69H134O2 — CID 173416726

IUPAC1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
SMILESOC1(C2(C3CCCCCCCCCCCCCCCCCCCCCC3)CCCCCCCCCCCCCCCCCCCCCCO2)CCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C69H134O2/c70-68(63-57-51-45-39-33-27-21-15-9-3-4-10-16-22-28-34-40-46-52-58-64-68)69(65-59-53-47-41-35-29-23-17-11-5-6-12-18-24-30-36-42-48-54-60-66-71-69)67-61-55-49-43-37-31-25-19-13-7-1-2-8-14-20-26-32-38-44-50-56-62-67/h67,70H,1-66H2
InChIKeyVCANKQNGNJQVAI-UHFFFAOYSA-N
MW995.83 g/mol
LogP24.49
Rot. Bonds2

About 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol

1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol (PubChem CID 173416726) has the molecular formula C69H134O2 and a molecular weight of 995.83 g/mol. Its IUPAC name is 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol.

Molecular Properties

Compound Name1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
PubChem CID173416726
Molecular FormulaC69H134O2
Molecular Weight995.83 g/mol
Exact Mass995.04
IUPAC Name1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
SMILESOC1(C2(C3CCCCCCCCCCCCCCCCCCCCCC3)CCCCCCCCCCCCCCCCCCCCCCO2)CCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C69H134O2/c70-68(63-57-51-45-39-33-27-21-15-9-3-4-10-16-22-28-34-40-46-52-58-64-68)69(65-59-53-47-41-35-29-23-17-11-5-6-12-18-24-30-36-42-48-54-60-66-71-69)67-61-55-49-43-37-31-25-19-13-7-1-2-8-14-20-26-32-38-44-50-56-62-67/h67,70H,1-66H2
InChIKeyVCANKQNGNJQVAI-UHFFFAOYSA-N
XLogP24.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.83
LogP ≤ 524.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol?
The IUPAC name of 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol (CID 173416726) is 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol.
What is the SMILES notation for 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol?
The canonical SMILES for 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol is OC1(C2(C3CCCCCCCCCCCCCCCCCCCCCC3)CCCCCCCCCCCCCCCCCCCCCCO2)CCCCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol?
The InChIKey is VCANKQNGNJQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H134O2/c70-68(63-57-51-45-39-33-27-21-15-9-3-4-10-16-22-28-34-40-46-52-58-64-68)69(65-59-53-47-41-35-29-23-17-11-5-6-12-18-24-30-36-42-48-54-60-66-71-69)67-61-55-49-43-37-31-25-19-13-7-1-2-8-14-20-26-32-38-44-50-56-62-67/h67,70H,1-66H2.
What are the key properties of 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol?
1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol has a molecular weight of 995.83 g/mol, XLogP of 24.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol is sourced from PubChem (CID 173416726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).