12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane

C16H28O5 — CID 130456992

IUPAC12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane
SMILESCCC1(CC)COC2(OC1)OCC1(CCC(C)OC1)CO2
InChIInChI=1S/C16H28O5/c1-4-14(5-2)9-18-16(19-10-14)20-11-15(12-21-16)7-6-13(3)17-8-15/h13H,4-12H2,1-3H3
InChIKeyOAIDYEHREHTXTK-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.68
Rot. Bonds2

About 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane

12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane (PubChem CID 130456992) has the molecular formula C16H28O5 and a molecular weight of 300.39 g/mol. Its IUPAC name is 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane
PubChem CID130456992
Molecular FormulaC16H28O5
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Name12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane
SMILESCCC1(CC)COC2(OC1)OCC1(CCC(C)OC1)CO2
InChIInChI=1S/C16H28O5/c1-4-14(5-2)9-18-16(19-10-14)20-11-15(12-21-16)7-6-13(3)17-8-15/h13H,4-12H2,1-3H3
InChIKeyOAIDYEHREHTXTK-UHFFFAOYSA-N
XLogP2.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane?
The IUPAC name of 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane (CID 130456992) is 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane?
The canonical SMILES for 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane is CCC1(CC)COC2(OC1)OCC1(CCC(C)OC1)CO2.
What is the InChIKey of 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane?
The InChIKey is OAIDYEHREHTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-4-14(5-2)9-18-16(19-10-14)20-11-15(12-21-16)7-6-13(3)17-8-15/h13H,4-12H2,1-3H3.
What are the key properties of 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane?
12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane has a molecular weight of 300.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diethyl-3-methyl-4,8,10,14,15-pentaoxadispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 130456992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).