3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

C15H24O4 — CID 19810817

IUPAC3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)C(=O)OC2(OC(=O)C(C)(C)C2(C)C)C1(C)C
InChIInChI=1S/C15H24O4/c1-11(2)9(16)18-15(13(11,5)6)14(7,8)12(3,4)10(17)19-15/h1-8H3
InChIKeyOXXHRWPWAPXNRG-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.90
Rot. Bonds

About 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 19810817) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID19810817
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)C(=O)OC2(OC(=O)C(C)(C)C2(C)C)C1(C)C
InChIInChI=1S/C15H24O4/c1-11(2)9(16)18-15(13(11,5)6)14(7,8)12(3,4)10(17)19-15/h1-8H3
InChIKeyOXXHRWPWAPXNRG-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 19810817) is 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CC1(C)C(=O)OC2(OC(=O)C(C)(C)C2(C)C)C1(C)C.
What is the InChIKey of 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is OXXHRWPWAPXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(2)9(16)18-15(13(11,5)6)14(7,8)12(3,4)10(17)19-15/h1-8H3.
What are the key properties of 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 268.35 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,8,8,9,9-octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19810817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).