21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol

C20H30O3 — CID 10903243

IUPAC21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol
SMILESOC12CCCCC13C1CC4CCCCC43OC3(CCCCC13)O2
InChIInChI=1S/C20H30O3/c21-20-12-6-5-9-17(20)16-13-14-7-1-3-10-18(14,17)22-19(23-20)11-4-2-8-15(16)19/h14-16,21H,1-13H2
InChIKeyAOSXPCRBJIKOPT-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.13
Rot. Bonds

About 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol

21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol (PubChem CID 10903243) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol.

Molecular Properties

Compound Name21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol
PubChem CID10903243
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol
SMILESOC12CCCCC13C1CC4CCCCC43OC3(CCCCC13)O2
InChIInChI=1S/C20H30O3/c21-20-12-6-5-9-17(20)16-13-14-7-1-3-10-18(14,17)22-19(23-20)11-4-2-8-15(16)19/h14-16,21H,1-13H2
InChIKeyAOSXPCRBJIKOPT-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol?
The IUPAC name of 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol (CID 10903243) is 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol.
What is the SMILES notation for 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol?
The canonical SMILES for 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol is OC12CCCCC13C1CC4CCCCC43OC3(CCCCC13)O2.
What is the InChIKey of 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol?
The InChIKey is AOSXPCRBJIKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c21-20-12-6-5-9-17(20)16-13-14-7-1-3-10-18(14,17)22-19(23-20)11-4-2-8-15(16)19/h14-16,21H,1-13H2.
What are the key properties of 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol?
21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol has a molecular weight of 318.46 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dioxahexacyclo[12.7.1.01,6.07,15.09,14.015,20]docosan-20-ol is sourced from PubChem (CID 10903243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).