2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane

C15H30O6 — CID 3667169

IUPAC2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCOCC1COCCOCCOCCOCCO1
InChIInChI=1S/C15H30O6/c1-2-3-4-19-13-15-14-20-10-9-17-6-5-16-7-8-18-11-12-21-15/h15H,2-14H2,1H3
InChIKeyZUWFLWPCLOWQHY-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.27
Rot. Bonds5

About 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 3667169) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID3667169
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCOCC1COCCOCCOCCOCCO1
InChIInChI=1S/C15H30O6/c1-2-3-4-19-13-15-14-20-10-9-17-6-5-16-7-8-18-11-12-21-15/h15H,2-14H2,1H3
InChIKeyZUWFLWPCLOWQHY-UHFFFAOYSA-N
XLogP1.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.27
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

5,8,11,14-Tetraoxaoctadecane
CID 2733908
1,3-Bis(2,3-epoxypropoxy)butane
CID 97961
Oxirane, ((2-butoxyethoxy)methyl)-
CID 93080
1,2'-Oxydipropanol dimethyl ether
CID 14455226
7-Methyl-2,6,9,12-tetraoxahexadecane
CID 24838540
2-[3-(2-Hydroxyethoxy)butoxy]ethanol
CID 477673
3,6,9-Trimethyl-2,5,8,11-tetraoxadodecane
CID 15930777
(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane
CID 78225729
2-Methoxy-1-[2-(2-methoxypropoxy)propoxy]propane
CID 552242
2-(2,5,8,11,14-Pentaoxapentadecyl)oxirane
CID 59130168
18-Methyl-2,5,8,11,14,17-hexaoxanonadecane
CID 6454511
2,13-Dimethyl-3,6,9,12-tetraoxatetradecane
CID 15153196

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 3667169) is 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane is CCCCOCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is ZUWFLWPCLOWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-2-3-4-19-13-15-14-20-10-9-17-6-5-16-7-8-18-11-12-21-15/h15H,2-14H2,1H3.
What are the key properties of 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 306.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 3667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).