2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C18H18 — CID 59340364

IUPAC2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC(C)=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H18/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-10H,11-12H2,1-2H3
InChIKeyJICXQQZWHFIWMQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.63
Rot. Bonds

About 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 59340364) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID59340364
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC(C)=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H18/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-10H,11-12H2,1-2H3
InChIKeyJICXQQZWHFIWMQ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Related Compounds

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CID 162023377
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CID 67167052
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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CID 54118833
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CID 14337503
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CID 91093084
18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene
CID 134848386
3-propan-2-ylidene-1H-2-benzothiophene
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 59340364) is 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is CC(C)=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is JICXQQZWHFIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 234.34 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 59340364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).