2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

C17H34O7 — CID 118052162

IUPAC2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCC(C)OCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C17H34O7/c1-3-16(2)24-15-17-14-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-17/h16-17H,3-15H2,1-2H3
InChIKeyMHTMEQJZDMOOHF-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.28
Rot. Bonds4

About 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 118052162) has the molecular formula C17H34O7 and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID118052162
Molecular FormulaC17H34O7
Molecular Weight350.45 g/mol
Exact Mass350.23
IUPAC Name2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCC(C)OCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C17H34O7/c1-3-16(2)24-15-17-14-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-17/h16-17H,3-15H2,1-2H3
InChIKeyMHTMEQJZDMOOHF-UHFFFAOYSA-N
XLogP1.28
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 118052162) is 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is CCC(C)OCC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is MHTMEQJZDMOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7/c1-3-16(2)24-15-17-14-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 350.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 118052162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).