2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane

C11H20O2 — CID 20769602

IUPAC2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CC2(CC1C)OC(C)C(C)O2
InChIInChI=1S/C11H20O2/c1-7-5-11(6-8(7)2)12-9(3)10(4)13-11/h7-10H,5-6H2,1-4H3
InChIKeyUMTWOOGKRIBXAU-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.57
Rot. Bonds

About 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane

2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 20769602) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID20769602
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CC2(CC1C)OC(C)C(C)O2
InChIInChI=1S/C11H20O2/c1-7-5-11(6-8(7)2)12-9(3)10(4)13-11/h7-10H,5-6H2,1-4H3
InChIKeyUMTWOOGKRIBXAU-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane (CID 20769602) is 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane is CC1CC2(CC1C)OC(C)C(C)O2.
What is the InChIKey of 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is UMTWOOGKRIBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-5-11(6-8(7)2)12-9(3)10(4)13-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane?
2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 20769602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).