2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol

C13H24O2 — CID 129296535

IUPAC2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol
SMILESCCC1(C)C(O)C2(CCOCC2)C1(C)C
InChIInChI=1S/C13H24O2/c1-5-12(4)10(14)13(11(12,2)3)6-8-15-9-7-13/h10,14H,5-9H2,1-4H3
InChIKeyAVKLUEMHTLEREG-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.60
Rot. Bonds1

About 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol

2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol (PubChem CID 129296535) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol
PubChem CID129296535
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol
SMILESCCC1(C)C(O)C2(CCOCC2)C1(C)C
InChIInChI=1S/C13H24O2/c1-5-12(4)10(14)13(11(12,2)3)6-8-15-9-7-13/h10,14H,5-9H2,1-4H3
InChIKeyAVKLUEMHTLEREG-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol?
The IUPAC name of 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol (CID 129296535) is 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol?
The canonical SMILES for 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol is CCC1(C)C(O)C2(CCOCC2)C1(C)C.
What is the InChIKey of 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol?
The InChIKey is AVKLUEMHTLEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-12(4)10(14)13(11(12,2)3)6-8-15-9-7-13/h10,14H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol?
2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethyl-7-oxaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 129296535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).