8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane

C25H28O — CID 177224938

IUPAC8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane
SMILESC=C(OC1CC2CC3CCC32C1)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O/c1-18(26-23-16-22-15-21-13-14-25(21,22)17-23)24(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3
InChIKeyXNKXWLKGOUGWNN-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.10
Rot. Bonds5

About 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane

8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane (PubChem CID 177224938) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane.

Molecular Properties

Compound Name8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane
PubChem CID177224938
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane
SMILESC=C(OC1CC2CC3CCC32C1)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O/c1-18(26-23-16-22-15-21-13-14-25(21,22)17-23)24(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3
InChIKeyXNKXWLKGOUGWNN-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane with MolForge

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Related Compounds

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CID 146971372
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CID 7116226
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-hydroxy-2-phenylpropanoate
CID 165367546
[(4S,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-diphenylpropanoate
CID 90850483
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
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CID 10956665
[(4S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2,2-diphenylpropanoate bromide
CID 160712901
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
1-azabicyclo[2.2.2]octan-3-yl 2-(3,3-dimethylazetidin-1-yl)-2-phenylpropanoate
CID 67286511
[1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 135079921
[1-bromo-2-(3,4-dimethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774396
(1-methylpiperidin-4-yl) (2R)-2-(1-hydroxycyclohexyl)-2-phenylpropanoate
CID 97304408

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane?
The IUPAC name of 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane (CID 177224938) is 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane.
What is the SMILES notation for 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane?
The canonical SMILES for 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane is C=C(OC1CC2CC3CCC32C1)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane?
The InChIKey is XNKXWLKGOUGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-18(26-23-16-22-15-21-13-14-25(21,22)17-23)24(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3.
What are the key properties of 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane?
8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane has a molecular weight of 344.50 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diphenylbut-1-en-2-yloxy)tricyclo[4.3.0.01,4]nonane is sourced from PubChem (CID 177224938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).