2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]

C18H18 — CID 91221458

IUPAC2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]
SMILESC1=CCC(=C2CCCCC23c2ccccc23)C=C1
InChIInChI=1S/C18H18/c1-2-8-14(9-3-1)15-10-6-7-13-18(15)16-11-4-5-12-17(16)18/h1-5,8,11-12H,6-7,9-10,13H2
InChIKeyQPAHNCSZVMREQJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.67
Rot. Bonds

About 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]

2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane] (PubChem CID 91221458) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane].

Molecular Properties

Compound Name2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]
PubChem CID91221458
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]
SMILESC1=CCC(=C2CCCCC23c2ccccc23)C=C1
InChIInChI=1S/C18H18/c1-2-8-14(9-3-1)15-10-6-7-13-18(15)16-11-4-5-12-17(16)18/h1-5,8,11-12H,6-7,9-10,13H2
InChIKeyQPAHNCSZVMREQJ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]?
The IUPAC name of 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane] (CID 91221458) is 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane].
What is the SMILES notation for 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]?
The canonical SMILES for 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane] is C1=CCC(=C2CCCCC23c2ccccc23)C=C1.
What is the InChIKey of 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]?
The InChIKey is QPAHNCSZVMREQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-2-8-14(9-3-1)15-10-6-7-13-18(15)16-11-4-5-12-17(16)18/h1-5,8,11-12H,6-7,9-10,13H2.
What are the key properties of 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane]?
2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane] has a molecular weight of 234.34 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-cyclohexa-2,4-dien-1-ylidenespiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,1'-cyclohexane] is sourced from PubChem (CID 91221458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).