2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane

C10H18O3 — CID 12996888

IUPAC2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane
SMILESCC1OC2(CCCCO2)OC1(C)C
InChIInChI=1S/C10H18O3/c1-8-9(2,3)13-10(12-8)6-4-5-7-11-10/h8H,4-7H2,1-3H3
InChIKeyFNRVUKZESPBQGI-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.05
Rot. Bonds

About 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane

2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane (PubChem CID 12996888) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane
PubChem CID12996888
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane
SMILESCC1OC2(CCCCO2)OC1(C)C
InChIInChI=1S/C10H18O3/c1-8-9(2,3)13-10(12-8)6-4-5-7-11-10/h8H,4-7H2,1-3H3
InChIKeyFNRVUKZESPBQGI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The IUPAC name of 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane (CID 12996888) is 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The canonical SMILES for 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane is CC1OC2(CCCCO2)OC1(C)C.
What is the InChIKey of 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The InChIKey is FNRVUKZESPBQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-9(2,3)13-10(12-8)6-4-5-7-11-10/h8H,4-7H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane?
2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane has a molecular weight of 186.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1,4,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 12996888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).