2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane

C95H128O26 — CID 91077199

IUPAC2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane
SMILESC1CCCC1.COCCOCCOCCOc1cc(C#Cc2cc(OCCOCCOCCOC(=O)C3CCCC3)c(C#Cc3cc(OCCOCCOCCOC)c(C#Cc4ccccc4)cc3OCCOCCOCCOC)cc2OCCOCCOCCOC(=O)C2CCCC2)c(OCCOCCOCCOC)cc1C#Cc1ccccc1
InChIInChI=1S/C90H118O26.C5H10/c1-93-31-35-97-39-43-101-51-59-109-83-69-79(85(111-61-53-103-45-41-99-37-33-95-3)67-77(83)25-23-73-15-7-5-8-16-73)27-29-81-71-88(114-64-56-106-48-50-108-58-66-116-90(92)76-21-13-14-22-76)82(72-87(81)113-63-55-105-47-49-107-57-65-115-89(91)75-19-11-12-20-75)30-28-80-70-84(110-60-52-102-44-40-98-36-32-94-2)78(26-24-74-17-9-6-10-18-74)68-86(80)112-62-54-104-46-42-100-38-34-96-4;1-2-4-5-3-1/h5-10,15-18,67-72,75-76H,11-14,19-22,31-66H2,1-4H3;1-5H2
InChIKeyRYQVICFQNPOCHU-UHFFFAOYSA-N
MW1686.04 g/mol
LogP11.76
Rot. Bonds62

About 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane

2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane (PubChem CID 91077199) has the molecular formula C95H128O26 and a molecular weight of 1686.04 g/mol. Its IUPAC name is 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane.

Molecular Properties

Compound Name2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane
PubChem CID91077199
Molecular FormulaC95H128O26
Molecular Weight1686.04 g/mol
Exact Mass1684.87
IUPAC Name2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane
SMILESC1CCCC1.COCCOCCOCCOc1cc(C#Cc2cc(OCCOCCOCCOC(=O)C3CCCC3)c(C#Cc3cc(OCCOCCOCCOC)c(C#Cc4ccccc4)cc3OCCOCCOCCOC)cc2OCCOCCOCCOC(=O)C2CCCC2)c(OCCOCCOCCOC)cc1C#Cc1ccccc1
InChIInChI=1S/C90H118O26.C5H10/c1-93-31-35-97-39-43-101-51-59-109-83-69-79(85(111-61-53-103-45-41-99-37-33-95-3)67-77(83)25-23-73-15-7-5-8-16-73)27-29-81-71-88(114-64-56-106-48-50-108-58-66-116-90(92)76-21-13-14-22-76)82(72-87(81)113-63-55-105-47-49-107-57-65-115-89(91)75-19-11-12-20-75)30-28-80-70-84(110-60-52-102-44-40-98-36-32-94-2)78(26-24-74-17-9-6-10-18-74)68-86(80)112-62-54-104-46-42-100-38-34-96-4;1-2-4-5-3-1/h5-10,15-18,67-72,75-76H,11-14,19-22,31-66H2,1-4H3;1-5H2
InChIKeyRYQVICFQNPOCHU-UHFFFAOYSA-N
XLogP11.76
TPSA255.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds62
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.04
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane with MolForge

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Related Compounds

cyclopentane;1-cyclopentyl-12-[4-(12-cyclopentyl-12-oxododecoxy)-2,5-bis[2-[2,5-didodecoxy-4-(2-phenylethynyl)phenyl]ethynyl]phenoxy]dodecan-1-one
CID 91005159
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
4-(2-methoxyethoxy)-3-(2-phenylethynyl)aniline
CID 141034830
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
4-[2-[5-[2-[2-[2-[4,5-bis[2-(4-cyanophenyl)ethynyl]-2-methoxyphenyl]ethynyl]-4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-2-[2-(4-cyanophenyl)ethynyl]-4-methoxyphenyl]ethynyl]benzonitrile
CID 11136973
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
tert-butyl 4-[2-[4-methoxy-5-[2-[2-[2-[2-methoxy-4,5-bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]phenyl]ethynyl]-4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]phenyl]ethynyl]benzoate
CID 11768457
1,4-diethoxy-2,5-bis(2-phenylethynyl)benzene
CID 101481191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane?
The IUPAC name of 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane (CID 91077199) is 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane.
What is the SMILES notation for 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane?
The canonical SMILES for 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane is C1CCCC1.COCCOCCOCCOc1cc(C#Cc2cc(OCCOCCOCCOC(=O)C3CCCC3)c(C#Cc3cc(OCCOCCOCCOC)c(C#Cc4ccccc4)cc3OCCOCCOCCOC)cc2OCCOCCOCCOC(=O)C2CCCC2)c(OCCOCCOCCOC)cc1C#Cc1ccccc1.
What is the InChIKey of 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane?
The InChIKey is RYQVICFQNPOCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H118O26.C5H10/c1-93-31-35-97-39-43-101-51-59-109-83-69-79(85(111-61-53-103-45-41-99-37-33-95-3)67-77(83)25-23-73-15-7-5-8-16-73)27-29-81-71-88(114-64-56-106-48-50-108-58-66-116-90(92)76-21-13-14-22-76)82(72-87(81)113-63-55-105-47-49-107-57-65-115-89(91)75-19-11-12-20-75)30-28-80-70-84(110-60-52-102-44-40-98-36-32-94-2)78(26-24-74-17-9-6-10-18-74)68-86(80)112-62-54-104-46-42-100-38-34-96-4;1-2-4-5-3-1/h5-10,15-18,67-72,75-76H,11-14,19-22,31-66H2,1-4H3;1-5H2.
What are the key properties of 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane?
2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane has a molecular weight of 1686.04 g/mol, XLogP of 11.76, 62 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,5-bis[2-[2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2-phenylethynyl)phenyl]ethynyl]-4-[2-[2-[2-(cyclopentanecarbonyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl cyclopentanecarboxylate;cyclopentane is sourced from PubChem (CID 91077199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).