1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane

C10H18O3 — CID 538148

IUPAC1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane
SMILESCC1OCC(C)(C)C2COC1(C)O2
InChIInChI=1S/C10H18O3/c1-7-10(4)12-5-8(13-10)9(2,3)6-11-7/h7-8H,5-6H2,1-4H3
InChIKeyDTXOQDCRGBJZEU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.56
Rot. Bonds

About 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane

1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane (PubChem CID 538148) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane
PubChem CID538148
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane
SMILESCC1OCC(C)(C)C2COC1(C)O2
InChIInChI=1S/C10H18O3/c1-7-10(4)12-5-8(13-10)9(2,3)6-11-7/h7-8H,5-6H2,1-4H3
InChIKeyDTXOQDCRGBJZEU-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane?
The IUPAC name of 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane (CID 538148) is 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane.
What is the SMILES notation for 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane?
The canonical SMILES for 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane is CC1OCC(C)(C)C2COC1(C)O2.
What is the InChIKey of 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane?
The InChIKey is DTXOQDCRGBJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-10(4)12-5-8(13-10)9(2,3)6-11-7/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane?
1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane has a molecular weight of 186.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetramethyl-3,8,9-trioxabicyclo[4.2.1]nonane is sourced from PubChem (CID 538148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).