spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol

C20H22O — CID 71263398

IUPACspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
SMILESOC1CCC2(CC1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C20H22O/c21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-8,17,21H,9-14H2
InChIKeyZPTYQPUXAMTGRX-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.01
Rot. Bonds

About spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol

spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol (PubChem CID 71263398) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol.

Molecular Properties

Compound Namespiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
PubChem CID71263398
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Namespiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
SMILESOC1CCC2(CC1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C20H22O/c21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-8,17,21H,9-14H2
InChIKeyZPTYQPUXAMTGRX-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol?
The IUPAC name of spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol (CID 71263398) is spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol.
What is the SMILES notation for spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol?
The canonical SMILES for spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol is OC1CCC2(CC1)c1ccccc1CCc1ccccc12.
What is the InChIKey of spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol?
The InChIKey is ZPTYQPUXAMTGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-8,17,21H,9-14H2.
What are the key properties of spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol?
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol has a molecular weight of 278.39 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol is sourced from PubChem (CID 71263398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).