2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate

C87H124O10S7 — CID 102150604

IUPAC2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate
SMILESCCCCCCCCCCCCCCCCOCc1ccc(-c2ccc(-c3ccc(-c4cc(CCOCCOCCOCCOCCOCCOCCOC(=O)CCCCc5ccccc5)c(-c5ccc(-c6ccc(-c7ccc(COCCCCCCCCCCCCCCCC)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C87H124O10S7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-53-95-69-73-40-42-75(98-73)77-44-46-79(100-77)80-48-49-83(102-80)85-68-72(52-55-89-56-57-90-58-59-91-60-61-92-62-63-93-64-65-94-66-67-97-86(88)39-33-32-38-71-36-30-29-31-37-71)87(104-85)84-51-50-82(103-84)81-47-45-78(101-81)76-43-41-74(99-76)70-96-54-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,36-37,40-51,68H,3-28,32-35,38-39,52-67,69-70H2,1-2H3
InChIKeyBYUTUEFCZRQGJZ-UHFFFAOYSA-N
MW1554.41 g/mol
LogP26.71
Rot. Bonds66

About 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate

2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate (PubChem CID 102150604) has the molecular formula C87H124O10S7 and a molecular weight of 1554.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate
PubChem CID102150604
Molecular FormulaC87H124O10S7
Molecular Weight1554.41 g/mol
Exact Mass1552.72
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate
SMILESCCCCCCCCCCCCCCCCOCc1ccc(-c2ccc(-c3ccc(-c4cc(CCOCCOCCOCCOCCOCCOCCOC(=O)CCCCc5ccccc5)c(-c5ccc(-c6ccc(-c7ccc(COCCCCCCCCCCCCCCCC)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C87H124O10S7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-53-95-69-73-40-42-75(98-73)77-44-46-79(100-77)80-48-49-83(102-80)85-68-72(52-55-89-56-57-90-58-59-91-60-61-92-62-63-93-64-65-94-66-67-97-86(88)39-33-32-38-71-36-30-29-31-37-71)87(104-85)84-51-50-82(103-84)81-47-45-78(101-81)76-43-41-74(99-76)70-96-54-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,36-37,40-51,68H,3-28,32-35,38-39,52-67,69-70H2,1-2H3
InChIKeyBYUTUEFCZRQGJZ-UHFFFAOYSA-N
XLogP26.71
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds66
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.41
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate with MolForge

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Related Compounds

5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581
1-O-decyl 10-O-(3-phenylpropyl) decanedioate
CID 91710196
benzyl 5-[5-[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-4-octylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
CID 100915357
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
1-O-nonyl 5-O-(2-phenylethyl) pentanedioate
CID 91703318
1-O-decyl 5-O-(2-phenylethyl) pentanedioate
CID 91703319
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate (CID 102150604) is 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate is CCCCCCCCCCCCCCCCOCc1ccc(-c2ccc(-c3ccc(-c4cc(CCOCCOCCOCCOCCOCCOCCOC(=O)CCCCc5ccccc5)c(-c5ccc(-c6ccc(-c7ccc(COCCCCCCCCCCCCCCCC)s7)s6)s5)s4)s3)s2)s1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate?
The InChIKey is BYUTUEFCZRQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H124O10S7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-53-95-69-73-40-42-75(98-73)77-44-46-79(100-77)80-48-49-83(102-80)85-68-72(52-55-89-56-57-90-58-59-91-60-61-92-62-63-93-64-65-94-66-67-97-86(88)39-33-32-38-71-36-30-29-31-37-71)87(104-85)84-51-50-82(103-84)81-47-45-78(101-81)76-43-41-74(99-76)70-96-54-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,36-37,40-51,68H,3-28,32-35,38-39,52-67,69-70H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate?
2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate has a molecular weight of 1554.41 g/mol, XLogP of 26.71, 66 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2,5-bis[5-[5-[5-(hexadecoxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-phenylpentanoate is sourced from PubChem (CID 102150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).