5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane

C10H18O3 — CID 143369180

IUPAC5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane
SMILESCC(C)C12OCCC(C)(CO1)CO2
InChIInChI=1S/C10H18O3/c1-8(2)10-11-5-4-9(3,6-12-10)7-13-10/h8H,4-7H2,1-3H3
InChIKeyFPTLXSPZDNQRIZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.77
Rot. Bonds1

About 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane

5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane (PubChem CID 143369180) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane
PubChem CID143369180
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane
SMILESCC(C)C12OCCC(C)(CO1)CO2
InChIInChI=1S/C10H18O3/c1-8(2)10-11-5-4-9(3,6-12-10)7-13-10/h8H,4-7H2,1-3H3
InChIKeyFPTLXSPZDNQRIZ-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 157195679
(1R)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol
CID 130731468
1-[(1S)-1-isocyanatoethyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 102038981
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
2,2,5-trimethyl-5-propan-2-yloxane
CID 134573916
2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
CID 166557187
2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116987058
2,2-difluorooxetane;fluoromethane;molecular fluorine
CID 157131150
6-methyl-6-propan-2-yl-4-oxaspiro[2.4]heptane
CID 144747193
3,3-diethyl-2,2-di(propan-2-yl)oxolane
CID 172853495
(2S)-2-(methylamino)-2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol
CID 59103851

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane?
The IUPAC name of 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane (CID 143369180) is 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane?
The canonical SMILES for 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane is CC(C)C12OCCC(C)(CO1)CO2.
What is the InChIKey of 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane?
The InChIKey is FPTLXSPZDNQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10-11-5-4-9(3,6-12-10)7-13-10/h8H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane?
5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane has a molecular weight of 186.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2,7,8-trioxabicyclo[3.2.2]nonane is sourced from PubChem (CID 143369180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).