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

C20H20 — CID 123687681

IUPACspiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESC1=CCC2(CC1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C20H20/c1-6-14-20(15-7-1)18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h1-6,8-11H,7,12-15H2
InChIKeyYNQASOPLIQXBMR-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.81
Rot. Bonds

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

spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (PubChem CID 123687681) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].

Molecular Properties

Compound Namespiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
PubChem CID123687681
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Namespiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESC1=CCC2(CC1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C20H20/c1-6-14-20(15-7-1)18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h1-6,8-11H,7,12-15H2
InChIKeyYNQASOPLIQXBMR-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] with MolForge

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Related Compounds

3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
CID 24846104
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol
CID 12750258
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
(1-hydroperoxycyclohex-3-en-1-yl)benzene
CID 570693
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde
CID 10537290
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633

Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The IUPAC name of spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (CID 123687681) is spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].
What is the SMILES notation for spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The canonical SMILES for spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] is C1=CCC2(CC1)c1ccccc1CCc1ccccc12.
What is the InChIKey of spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The InChIKey is YNQASOPLIQXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-6-14-20(15-7-1)18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h1-6,8-11H,7,12-15H2.
What are the key properties of spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] has a molecular weight of 260.38 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] is sourced from PubChem (CID 123687681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).