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

C31H54O10 — CID 156631971

IUPAC2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCC(CCC)COCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C31H54O10/c1-3-5-6-8-28(7-4-2)27-40-24-23-38-20-19-36-16-15-34-13-14-35-17-18-37-21-22-39-25-26-41-31(33)29-9-11-30(32)12-10-29/h9-12,28,32H,3-8,13-27H2,1-2H3
InChIKeyDVKFRMAPIVVTSI-UHFFFAOYSA-N
MW586.76 g/mol
LogP4.66
Rot. Bonds30

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

2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 156631971) has the molecular formula C31H54O10 and a molecular weight of 586.76 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
PubChem CID156631971
Molecular FormulaC31H54O10
Molecular Weight586.76 g/mol
Exact Mass586.37
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCCC(CCC)COCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C31H54O10/c1-3-5-6-8-28(7-4-2)27-40-24-23-38-20-19-36-16-15-34-13-14-35-17-18-37-21-22-39-25-26-41-31(33)29-9-11-30(32)12-10-29/h9-12,28,32H,3-8,13-27H2,1-2H3
InChIKeyDVKFRMAPIVVTSI-UHFFFAOYSA-N
XLogP4.66
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.76
LogP ≤ 54.66
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-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631959
2-decyltetradecyl 4-hydroxybenzoate
CID 22356700
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
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
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
butane;docosyl 4-hydroxybenzoate
CID 175271638
2-fluoroheptyl 4-hydroxybenzoate
CID 71341169
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-fluorooctyl 4-hydroxybenzoate
CID 14401550

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (CID 156631971) is 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is CCCCCC(CCC)COCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is DVKFRMAPIVVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54O10/c1-3-5-6-8-28(7-4-2)27-40-24-23-38-20-19-36-16-15-34-13-14-35-17-18-37-21-22-39-25-26-41-31(33)29-9-11-30(32)12-10-29/h9-12,28,32H,3-8,13-27H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 586.76 g/mol, XLogP of 4.66, 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-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 156631971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).