2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol

C12H22O2 — CID 129296149

IUPAC2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)C1(C)CC2(CCOCC2)C1O
InChIInChI=1S/C12H22O2/c1-9(2)11(3)8-12(10(11)13)4-6-14-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyACBHMPGBGIGFBT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol

2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 129296149) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol
PubChem CID129296149
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)C1(C)CC2(CCOCC2)C1O
InChIInChI=1S/C12H22O2/c1-9(2)11(3)8-12(10(11)13)4-6-14-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyACBHMPGBGIGFBT-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol (CID 129296149) is 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol is CC(C)C1(C)CC2(CCOCC2)C1O.
What is the InChIKey of 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is ACBHMPGBGIGFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11(3)8-12(10(11)13)4-6-14-7-5-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 198.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 129296149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).