3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane

C18H32O4 — CID 58711179

IUPAC3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
SMILESCCC1OC2(COC3(CO2)OC(CC)C(C)C3C)C(C)C1C
InChIInChI=1S/C18H32O4/c1-7-15-11(3)13(5)17(21-15)9-20-18(10-19-17)14(6)12(4)16(8-2)22-18/h11-16H,7-10H2,1-6H3
InChIKeyVBIRDFGGECMJAG-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.59
Rot. Bonds2

About 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane

3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane (PubChem CID 58711179) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane.

Molecular Properties

Compound Name3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
PubChem CID58711179
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
SMILESCCC1OC2(COC3(CO2)OC(CC)C(C)C3C)C(C)C1C
InChIInChI=1S/C18H32O4/c1-7-15-11(3)13(5)17(21-15)9-20-18(10-19-17)14(6)12(4)16(8-2)22-18/h11-16H,7-10H2,1-6H3
InChIKeyVBIRDFGGECMJAG-UHFFFAOYSA-N
XLogP3.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane?
The IUPAC name of 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane (CID 58711179) is 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane.
What is the SMILES notation for 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane?
The canonical SMILES for 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane is CCC1OC2(COC3(CO2)OC(CC)C(C)C3C)C(C)C1C.
What is the InChIKey of 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane?
The InChIKey is VBIRDFGGECMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-7-15-11(3)13(5)17(21-15)9-20-18(10-19-17)14(6)12(4)16(8-2)22-18/h11-16H,7-10H2,1-6H3.
What are the key properties of 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane?
3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane has a molecular weight of 312.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane is sourced from PubChem (CID 58711179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).