12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane

C13H26O6 — CID 15721735

IUPAC12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
SMILESCOCCOC1(C)COCCOCCOCCOC1
InChIInChI=1S/C13H26O6/c1-13(19-10-3-14-2)11-17-8-6-15-4-5-16-7-9-18-12-13/h3-12H2,1-2H3
InChIKeyAVEBFEUNMPNMJN-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.49
Rot. Bonds4

About 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane

12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane (PubChem CID 15721735) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
PubChem CID15721735
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
SMILESCOCCOC1(C)COCCOCCOCCOC1
InChIInChI=1S/C13H26O6/c1-13(19-10-3-14-2)11-17-8-6-15-4-5-16-7-9-18-12-13/h3-12H2,1-2H3
InChIKeyAVEBFEUNMPNMJN-UHFFFAOYSA-N
XLogP0.49
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.49
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

1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
CID 102268049
3-methyl-3-(3-methylpent-4-enoxy)oxetane
CID 118482991
4-(3,3-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62562752
(3S)-3-(2-methoxyethyl)oxolan-3-amine
CID 96829788
CID 139177261
CID 139177261
4,4-bis(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine
CID 56983577
2-ethyl-4-methoxy-2-(2-methoxyethoxy)-4-oxidomorpholin-4-ium
CID 174741483
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416

Frequently Asked Questions

What is the IUPAC name of 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane (CID 15721735) is 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane is COCCOC1(C)COCCOCCOCCOC1.
What is the InChIKey of 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is AVEBFEUNMPNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-13(19-10-3-14-2)11-17-8-6-15-4-5-16-7-9-18-12-13/h3-12H2,1-2H3.
What are the key properties of 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane?
12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 278.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 15721735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).