2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate

C33H58O11 — CID 156631965

IUPAC2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C33H58O11/c1-2-3-4-5-6-7-8-9-14-36-15-16-37-17-18-38-19-20-39-21-22-40-23-24-41-25-26-42-27-28-43-29-30-44-33(35)31-10-12-32(34)13-11-31/h10-13,34H,2-9,14-30H2,1H3
InChIKeyYWZOSRMBOIQJBL-UHFFFAOYSA-N
MW630.82 g/mol
LogP4.82
Rot. Bonds34

About 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate

2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 156631965) has the molecular formula C33H58O11 and a molecular weight of 630.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
PubChem CID156631965
Molecular FormulaC33H58O11
Molecular Weight630.82 g/mol
Exact Mass630.40
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C33H58O11/c1-2-3-4-5-6-7-8-9-14-36-15-16-37-17-18-38-19-20-39-21-22-40-23-24-41-25-26-42-27-28-43-29-30-44-33(35)31-10-12-32(34)13-11-31/h10-13,34H,2-9,14-30H2,1H3
InChIKeyYWZOSRMBOIQJBL-UHFFFAOYSA-N
XLogP4.82
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butane;docosyl 4-hydroxybenzoate
CID 175271638
2-octoxyethyl 4-butylbenzoate
CID 140608616
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-nonoxyethyl benzoate
CID 140608587
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (CID 156631965) is 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is YWZOSRMBOIQJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O11/c1-2-3-4-5-6-7-8-9-14-36-15-16-37-17-18-38-19-20-39-21-22-40-23-24-41-25-26-42-27-28-43-29-30-44-33(35)31-10-12-32(34)13-11-31/h10-13,34H,2-9,14-30H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 630.82 g/mol, XLogP of 4.82, 34 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 156631965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).