1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane

C12H22O4 — CID 122415434

IUPAC1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCC1OCOC(C)(C)C12COCOC2(C)C
InChIInChI=1S/C12H22O4/c1-9-12(11(4,5)16-8-14-9)6-13-7-15-10(12,2)3/h9H,6-8H2,1-5H3
InChIKeyQGAMFMGTAPPRQO-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.93
Rot. Bonds

About 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane

1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 122415434) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID122415434
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCC1OCOC(C)(C)C12COCOC2(C)C
InChIInChI=1S/C12H22O4/c1-9-12(11(4,5)16-8-14-9)6-13-7-15-10(12,2)3/h9H,6-8H2,1-5H3
InChIKeyQGAMFMGTAPPRQO-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 122415434) is 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane is CC1OCOC(C)(C)C12COCOC2(C)C.
What is the InChIKey of 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is QGAMFMGTAPPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-9-12(11(4,5)16-8-14-9)6-13-7-15-10(12,2)3/h9H,6-8H2,1-5H3.
What are the key properties of 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane?
1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 230.30 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,11,11-pentamethyl-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 122415434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).