2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane

C12H22O2 — CID 162402544

IUPAC2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C12H22O2/c1-9-6-7-12(8-9)13-10(2,3)11(4,5)14-12/h9H,6-8H2,1-5H3
InChIKeyILVHRICJRSDXCR-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds

About 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane

2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 162402544) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID162402544
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C12H22O2/c1-9-6-7-12(8-9)13-10(2,3)11(4,5)14-12/h9H,6-8H2,1-5H3
InChIKeyILVHRICJRSDXCR-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane (CID 162402544) is 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane is CC1CCC2(C1)OC(C)(C)C(C)(C)O2.
What is the InChIKey of 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is ILVHRICJRSDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-6-7-12(8-9)13-10(2,3)11(4,5)14-12/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane?
2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,8-pentamethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 162402544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).