cyclopentyl 2-triphenylen-1-ylhexanoate

C29H30O2 — CID 140985263

IUPACcyclopentyl 2-triphenylen-1-ylhexanoate
SMILESCCCCC(C(=O)OC1CCCC1)c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C29H30O2/c1-2-3-13-27(29(30)31-20-11-4-5-12-20)26-19-10-18-25-23-15-7-6-14-21(23)22-16-8-9-17-24(22)28(25)26/h6-10,14-20,27H,2-5,11-13H2,1H3
InChIKeyUZAZPCOVRNDFKJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP7.91
Rot. Bonds6

About cyclopentyl 2-triphenylen-1-ylhexanoate

cyclopentyl 2-triphenylen-1-ylhexanoate (PubChem CID 140985263) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is cyclopentyl 2-triphenylen-1-ylhexanoate.

Molecular Properties

Compound Namecyclopentyl 2-triphenylen-1-ylhexanoate
PubChem CID140985263
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Namecyclopentyl 2-triphenylen-1-ylhexanoate
SMILESCCCCC(C(=O)OC1CCCC1)c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C29H30O2/c1-2-3-13-27(29(30)31-20-11-4-5-12-20)26-19-10-18-25-23-15-7-6-14-21(23)22-16-8-9-17-24(22)28(25)26/h6-10,14-20,27H,2-5,11-13H2,1H3
InChIKeyUZAZPCOVRNDFKJ-UHFFFAOYSA-N
XLogP7.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-triphenylen-1-ylhexanoate?
The IUPAC name of cyclopentyl 2-triphenylen-1-ylhexanoate (CID 140985263) is cyclopentyl 2-triphenylen-1-ylhexanoate.
What is the SMILES notation for cyclopentyl 2-triphenylen-1-ylhexanoate?
The canonical SMILES for cyclopentyl 2-triphenylen-1-ylhexanoate is CCCCC(C(=O)OC1CCCC1)c1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of cyclopentyl 2-triphenylen-1-ylhexanoate?
The InChIKey is UZAZPCOVRNDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O2/c1-2-3-13-27(29(30)31-20-11-4-5-12-20)26-19-10-18-25-23-15-7-6-14-21(23)22-16-8-9-17-24(22)28(25)26/h6-10,14-20,27H,2-5,11-13H2,1H3.
What are the key properties of cyclopentyl 2-triphenylen-1-ylhexanoate?
cyclopentyl 2-triphenylen-1-ylhexanoate has a molecular weight of 410.56 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-triphenylen-1-ylhexanoate is sourced from PubChem (CID 140985263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).