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

C30H52O10 — CID 156631984

IUPAC2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C30H52O10/c1-2-3-4-5-6-7-8-13-33-14-15-34-16-17-35-18-19-36-20-21-37-22-23-38-24-25-39-26-27-40-30(32)28-9-11-29(31)12-10-28/h9-12,31H,2-8,13-27H2,1H3
InChIKeyKBNRBSMTIKVFGO-UHFFFAOYSA-N
MW572.74 g/mol
LogP4.42
Rot. Bonds30

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

2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 156631984) has the molecular formula C30H52O10 and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
PubChem CID156631984
Molecular FormulaC30H52O10
Molecular Weight572.74 g/mol
Exact Mass572.36
IUPAC Name2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C30H52O10/c1-2-3-4-5-6-7-8-13-33-14-15-34-16-17-35-18-19-36-20-21-37-22-23-38-24-25-39-26-27-40-30(32)28-9-11-29(31)12-10-28/h9-12,31H,2-8,13-27H2,1H3
InChIKeyKBNRBSMTIKVFGO-UHFFFAOYSA-N
XLogP4.42
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.74
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butane;docosyl 4-hydroxybenzoate
CID 175271638
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-octoxyethyl 4-butylbenzoate
CID 140608616
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
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (CID 156631984) is 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is KBNRBSMTIKVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O10/c1-2-3-4-5-6-7-8-13-33-14-15-34-16-17-35-18-19-36-20-21-37-22-23-38-24-25-39-26-27-40-30(32)28-9-11-29(31)12-10-28/h9-12,31H,2-8,13-27H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 572.74 g/mol, XLogP of 4.42, 30 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 156631984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).