cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate

C30H34O6 — CID 155659985

IUPACcyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
SMILESO=C(CCOc1c2ccccc2c(OCCC(=O)OC2CCCC2)c2ccccc12)OC1CCCC1
InChIInChI=1S/C30H34O6/c31-27(35-21-9-1-2-10-21)17-19-33-29-23-13-5-7-15-25(23)30(26-16-8-6-14-24(26)29)34-20-18-28(32)36-22-11-3-4-12-22/h5-8,13-16,21-22H,1-4,9-12,17-20H2
InChIKeyKORWNJWWCLOSKK-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.50
Rot. Bonds10

About cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate

cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate (PubChem CID 155659985) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate.

Molecular Properties

Compound Namecyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
PubChem CID155659985
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Namecyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
SMILESO=C(CCOc1c2ccccc2c(OCCC(=O)OC2CCCC2)c2ccccc12)OC1CCCC1
InChIInChI=1S/C30H34O6/c31-27(35-21-9-1-2-10-21)17-19-33-29-23-13-5-7-15-25(23)30(26-16-8-6-14-24(26)29)34-20-18-28(32)36-22-11-3-4-12-22/h5-8,13-16,21-22H,1-4,9-12,17-20H2
InChIKeyKORWNJWWCLOSKK-UHFFFAOYSA-N
XLogP6.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 3-[3-chloro-10-(3-cyclohexyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
CID 155660078
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999
cyclohexyl 5-[3-chloro-10-(5-cyclohexyloxy-5-oxopentoxy)anthracen-9-yl]oxypentanoate
CID 155659934
(4-dodecylcyclohexyl) 3-[10-[3-(4-dodecylcyclohexyl)oxy-3-oxopropoxy]anthracen-9-yl]oxypropanoate
CID 155660059
cyclododecyl 4-phenylbutanoate
CID 23159480
cyclohexyl 2-carbazol-9-ylacetate
CID 12010465
1-O-cyclopentyl 4-O-(2-fluorophenyl) butanedioate
CID 91705018
cyclohexylmethyl 3-[3-chloro-10-[3-(cyclohexylmethoxy)-3-oxopropoxy]anthracen-9-yl]oxypropanoate
CID 155659920
dicyclohexyl pentanedioate
CID 15593941
cyclohexyl (4-cyclohexyloxycarbonyloxy-2,3-diethoxynaphthalen-1-yl) carbonate
CID 19886830
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
cyclobutyl 3-anilinopropanoate
CID 62217585

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate?
The IUPAC name of cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate (CID 155659985) is cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate.
What is the SMILES notation for cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate?
The canonical SMILES for cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate is O=C(CCOc1c2ccccc2c(OCCC(=O)OC2CCCC2)c2ccccc12)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate?
The InChIKey is KORWNJWWCLOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c31-27(35-21-9-1-2-10-21)17-19-33-29-23-13-5-7-15-25(23)30(26-16-8-6-14-24(26)29)34-20-18-28(32)36-22-11-3-4-12-22/h5-8,13-16,21-22H,1-4,9-12,17-20H2.
What are the key properties of cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate?
cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate has a molecular weight of 490.60 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate is sourced from PubChem (CID 155659985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).