2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane

C21H38O2 — CID 134123589

IUPAC2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane
SMILESCC1(C)CC(C)(C)CC2(COC3(CC(C)(C)CC(C)(C)C3)O2)C1
InChIInChI=1S/C21H38O2/c1-16(2)9-17(3,4)12-20(11-16)15-22-21(23-20)13-18(5,6)10-19(7,8)14-21/h9-15H2,1-8H3
InChIKeyILELUQZZIIGNGV-UHFFFAOYSA-N
MW322.53 g/mol
LogP5.94
Rot. Bonds

About 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane

2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane (PubChem CID 134123589) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane
PubChem CID134123589
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane
SMILESCC1(C)CC(C)(C)CC2(COC3(CC(C)(C)CC(C)(C)C3)O2)C1
InChIInChI=1S/C21H38O2/c1-16(2)9-17(3,4)12-20(11-16)15-22-21(23-20)13-18(5,6)10-19(7,8)14-21/h9-15H2,1-8H3
InChIKeyILELUQZZIIGNGV-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane (CID 134123589) is 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane is CC1(C)CC(C)(C)CC2(COC3(CC(C)(C)CC(C)(C)C3)O2)C1.
What is the InChIKey of 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane?
The InChIKey is ILELUQZZIIGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2/c1-16(2)9-17(3,4)12-20(11-16)15-22-21(23-20)13-18(5,6)10-19(7,8)14-21/h9-15H2,1-8H3.
What are the key properties of 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane?
2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane has a molecular weight of 322.53 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 134123589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).