2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate

C37H56O11 — CID 101156331

IUPAC2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate
SMILESO=C(OCCOCCOCCOCCOc1cccc2c(OCCOCCOCCOCCO)cccc12)C1CCC2CCCC(C2)C1
InChIInChI=1S/C37H56O11/c38-12-13-40-14-15-41-16-19-43-22-25-46-35-8-2-7-34-33(35)6-3-9-36(34)47-26-23-44-20-17-42-18-21-45-24-27-48-37(39)32-11-10-30-4-1-5-31(28-30)29-32/h2-3,6-9,30-32,38H,1,4-5,10-29H2
InChIKeyKAQKYSVFPCYJHP-UHFFFAOYSA-N
MW676.84 g/mol
LogP4.84
Rot. Bonds26

About 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate

2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate (PubChem CID 101156331) has the molecular formula C37H56O11 and a molecular weight of 676.84 g/mol. Its IUPAC name is 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate
PubChem CID101156331
Molecular FormulaC37H56O11
Molecular Weight676.84 g/mol
Exact Mass676.38
IUPAC Name2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate
SMILESO=C(OCCOCCOCCOCCOc1cccc2c(OCCOCCOCCOCCO)cccc12)C1CCC2CCCC(C2)C1
InChIInChI=1S/C37H56O11/c38-12-13-40-14-15-41-16-19-43-22-25-46-35-8-2-7-34-33(35)6-3-9-36(34)47-26-23-44-20-17-42-18-21-45-24-27-48-37(39)32-11-10-30-4-1-5-31(28-30)29-32/h2-3,6-9,30-32,38H,1,4-5,10-29H2
InChIKeyKAQKYSVFPCYJHP-UHFFFAOYSA-N
XLogP4.84
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate with MolForge

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Related Compounds

2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-naphthalen-1-yloxyethyl 8,8-difluorobicyclo[5.1.0]octane-4-carboxylate
CID 167795034
cyclopropanecarbonyl chloride;2-[2-[2-(cyclopropanecarbonyloxy)ethoxy]ethoxy]ethyl cyclopropanecarboxylate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159662744
4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
CID 66984163
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
CID 158595485
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
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
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate?
The IUPAC name of 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate (CID 101156331) is 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate?
The canonical SMILES for 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate is O=C(OCCOCCOCCOCCOc1cccc2c(OCCOCCOCCOCCO)cccc12)C1CCC2CCCC(C2)C1.
What is the InChIKey of 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate?
The InChIKey is KAQKYSVFPCYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O11/c38-12-13-40-14-15-41-16-19-43-22-25-46-35-8-2-7-34-33(35)6-3-9-36(34)47-26-23-44-20-17-42-18-21-45-24-27-48-37(39)32-11-10-30-4-1-5-31(28-30)29-32/h2-3,6-9,30-32,38H,1,4-5,10-29H2.
What are the key properties of 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate?
2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate has a molecular weight of 676.84 g/mol, XLogP of 4.84, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl bicyclo[4.3.1]decane-3-carboxylate is sourced from PubChem (CID 101156331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).