butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate

C15H29NO6 — CID 5135482

IUPACbutyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
SMILESCCCCOC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C15H29NO6/c1-2-3-6-22-15(17)16-4-7-18-9-11-20-13-14-21-12-10-19-8-5-16/h2-14H2,1H3
InChIKeyRHIBEJHUVMPOSC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.31
Rot. Bonds3

About butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate

butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate (PubChem CID 5135482) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate.

Molecular Properties

Compound Namebutyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
PubChem CID5135482
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Namebutyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
SMILESCCCCOC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C15H29NO6/c1-2-3-6-22-15(17)16-4-7-18-9-11-20-13-14-21-12-10-19-8-5-16/h2-14H2,1H3
InChIKeyRHIBEJHUVMPOSC-UHFFFAOYSA-N
XLogP1.31
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 3805738
1,4,10-Trioxa-7,13-diaza-cyclopentadecane-7,13-dicarboxylic acid di-tert-butyl ester
CID 645158
Dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
CID 660708
Diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
CID 660650
1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecane-7,16-dicarboxylic acid diethyl ester
CID 575680
Ethyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 766197
Bis((n-butoxycarbonyl)-methyl) urethane
CID 88424340
2,5,8-trioxa-nonanedioic acid bis-(N,N-diethylamide)
CID 129658237
Ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate
CID 3110909
Tert-butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 3922219
Ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
CID 23856432
Ethyl 1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carboxylate
CID 44791087

Frequently Asked Questions

What is the IUPAC name of butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The IUPAC name of butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate (CID 5135482) is butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate.
What is the SMILES notation for butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The canonical SMILES for butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate is CCCCOC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The InChIKey is RHIBEJHUVMPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-2-3-6-22-15(17)16-4-7-18-9-11-20-13-14-21-12-10-19-8-5-16/h2-14H2,1H3.
What are the key properties of butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate is sourced from PubChem (CID 5135482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).