2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C23H26 — CID 142272239

IUPAC2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCCCCC(CCC)=C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C23H26/c1-3-5-11-20(10-4-2)23-21-14-8-6-12-18(21)16-17-19-13-7-9-15-22(19)23/h6-9,12-17H,3-5,10-11H2,1-2H3
InChIKeyHJUAKDXTHGBXPN-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.96
Rot. Bonds5

About 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 142272239) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID142272239
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCCCCC(CCC)=C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C23H26/c1-3-5-11-20(10-4-2)23-21-14-8-6-12-18(21)16-17-19-13-7-9-15-22(19)23/h6-9,12-17H,3-5,10-11H2,1-2H3
InChIKeyHJUAKDXTHGBXPN-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
(1E)-1-hexylideneindene
CID 173434056
(2E)-2-pentylidenenaphthalen-1-one
CID 69085981
1-chloropentane;naphthalene-1,2-dione
CID 174978866
1-butyl-4-inden-1-ylidenepyridine
CID 91539953
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
bis(9H-fluorene);pentane
CID 159146463
1-hexyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 22990729
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;henicosane
CID 174789372
dodecane;phenol
CID 157210063
isoindole-1,3-dione;pentanamide
CID 174742394

Frequently Asked Questions

What is the IUPAC name of 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 142272239) is 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is CCCCC(CCC)=C1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is HJUAKDXTHGBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-3-5-11-20(10-4-2)23-21-14-8-6-12-18(21)16-17-19-13-7-9-15-22(19)23/h6-9,12-17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 302.46 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 142272239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).