2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol

C13H24O2 — CID 71429339

IUPAC2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol
SMILESCC1CCC2(O1)C(C(C)C)CCC2(C)O
InChIInChI=1S/C13H24O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h9-11,14H,5-8H2,1-4H3
InChIKeyXIYYLFVNXGAYER-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds1

About 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol

2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol (PubChem CID 71429339) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol
PubChem CID71429339
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol
SMILESCC1CCC2(O1)C(C(C)C)CCC2(C)O
InChIInChI=1S/C13H24O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h9-11,14H,5-8H2,1-4H3
InChIKeyXIYYLFVNXGAYER-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The IUPAC name of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol (CID 71429339) is 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol.
What is the SMILES notation for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The canonical SMILES for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol is CC1CCC2(O1)C(C(C)C)CCC2(C)O.
What is the InChIKey of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The InChIKey is XIYYLFVNXGAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol?
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 71429339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).