2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane

C24H48O6 — CID 155062842

IUPAC2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCCC(C)C1COCCOC(C(C)CC)COCCOC(C(C)C)COCCO1
InChIInChI=1S/C24H48O6/c1-7-9-21(6)24-18-27-12-14-29-23(20(5)8-2)17-26-10-13-28-22(19(3)4)16-25-11-15-30-24/h19-24H,7-18H2,1-6H3
InChIKeyLBUKHPZXTCGVTH-UHFFFAOYSA-N
MW432.64 g/mol
LogP4.34
Rot. Bonds6

About 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane

2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 155062842) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID155062842
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Name2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCCC(C)C1COCCOC(C(C)CC)COCCOC(C(C)C)COCCO1
InChIInChI=1S/C24H48O6/c1-7-9-21(6)24-18-27-12-14-29-23(20(5)8-2)17-26-10-13-28-22(19(3)4)16-25-11-15-30-24/h19-24H,7-18H2,1-6H3
InChIKeyLBUKHPZXTCGVTH-UHFFFAOYSA-N
XLogP4.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane with MolForge

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Related Compounds

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CID 161408982
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CID 65352588
1-(1,4-dioxan-2-yl)-N-methylheptan-1-amine
CID 65352208
1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
CID 65351199
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CID 57186415
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 115825177
3-butan-2-yloxolane;ethane
CID 143988733
1-(1,4-dioxan-2-yl)-2-methylpentan-1-one
CID 107891217
2-propan-2-yl-4-propylmorpholine
CID 58468712
1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 68856315

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 155062842) is 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane is CCCC(C)C1COCCOC(C(C)CC)COCCOC(C(C)C)COCCO1.
What is the InChIKey of 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is LBUKHPZXTCGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6/c1-7-9-21(6)24-18-27-12-14-29-23(20(5)8-2)17-26-10-13-28-22(19(3)4)16-25-11-15-30-24/h19-24H,7-18H2,1-6H3.
What are the key properties of 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 432.64 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 155062842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).