10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane

C24H46N2O7 — CID 14910693

IUPAC10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
SMILESC1COC(COCCN2CCOCCOCCOCCN(CCOCC3CCCO3)CC2)C1
InChIInChI=1S/C24H46N2O7/c1-3-23(32-11-1)21-30-15-9-25-5-6-26(10-16-31-22-24-4-2-12-33-24)8-14-28-18-20-29-19-17-27-13-7-25/h23-24H,1-22H2
InChIKeyARSFHCAJCPGTGB-UHFFFAOYSA-N
MW474.64 g/mol
LogP1.04
Rot. Bonds10

About 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane

10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane (PubChem CID 14910693) has the molecular formula C24H46N2O7 and a molecular weight of 474.64 g/mol. Its IUPAC name is 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane.

Molecular Properties

Compound Name10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
PubChem CID14910693
Molecular FormulaC24H46N2O7
Molecular Weight474.64 g/mol
Exact Mass474.33
IUPAC Name10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
SMILESC1COC(COCCN2CCOCCOCCOCCN(CCOCC3CCCO3)CC2)C1
InChIInChI=1S/C24H46N2O7/c1-3-23(32-11-1)21-30-15-9-25-5-6-26(10-16-31-22-24-4-2-12-33-24)8-14-28-18-20-29-19-17-27-13-7-25/h23-24H,1-22H2
InChIKeyARSFHCAJCPGTGB-UHFFFAOYSA-N
XLogP1.04
TPSA71.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.64
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile
CID 97216352
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
CID 95636078
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 98768010
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407811
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111777925
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408449

Frequently Asked Questions

What is the IUPAC name of 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane?
The IUPAC name of 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane (CID 14910693) is 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane.
What is the SMILES notation for 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane?
The canonical SMILES for 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane is C1COC(COCCN2CCOCCOCCOCCN(CCOCC3CCCO3)CC2)C1.
What is the InChIKey of 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane?
The InChIKey is ARSFHCAJCPGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O7/c1-3-23(32-11-1)21-30-15-9-25-5-6-26(10-16-31-22-24-4-2-12-33-24)8-14-28-18-20-29-19-17-27-13-7-25/h23-24H,1-22H2.
What are the key properties of 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane?
10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane has a molecular weight of 474.64 g/mol, XLogP of 1.04, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane is sourced from PubChem (CID 14910693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).