2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate

C20H32O7 — CID 139804906

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
SMILESCCCCOCCOCCOCCOCCOC(=O)c1ccccc1OC
InChIInChI=1S/C20H32O7/c1-3-4-9-23-10-11-24-12-13-25-14-15-26-16-17-27-20(21)18-7-5-6-8-19(18)22-2/h5-8H,3-4,9-17H2,1-2H3
InChIKeyYCUZPKSEMDBQSM-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.72
Rot. Bonds17

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate (PubChem CID 139804906) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
PubChem CID139804906
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
SMILESCCCCOCCOCCOCCOCCOC(=O)c1ccccc1OC
InChIInChI=1S/C20H32O7/c1-3-4-9-23-10-11-24-12-13-25-14-15-26-16-17-27-20(21)18-7-5-6-8-19(18)22-2/h5-8H,3-4,9-17H2,1-2H3
InChIKeyYCUZPKSEMDBQSM-UHFFFAOYSA-N
XLogP2.72
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
dibutyl benzene-1,2-dicarboxylate
CID 69108201
2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid
CID 141493838
2-nonoxyethyl 2-methylbenzoate
CID 140608638
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310
hexyl 2-butoxybenzoate
CID 70562326
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
2-hexoxyethyl 2-propylbenzoate
CID 140608686
2-phenylethyl 2-butoxybenzoate
CID 141306389

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate (CID 139804906) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate is CCCCOCCOCCOCCOCCOC(=O)c1ccccc1OC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate?
The InChIKey is YCUZPKSEMDBQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O7/c1-3-4-9-23-10-11-24-12-13-25-14-15-26-16-17-27-20(21)18-7-5-6-8-19(18)22-2/h5-8H,3-4,9-17H2,1-2H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate has a molecular weight of 384.47 g/mol, XLogP of 2.72, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate is sourced from PubChem (CID 139804906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).