3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol

C16H30O3 — CID 169171978

IUPAC3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC1(C)CCC2(CCC(OCC(C)(C)CO)O2)CC1
InChIInChI=1S/C16H30O3/c1-14(2)7-9-16(10-8-14)6-5-13(19-16)18-12-15(3,4)11-17/h13,17H,5-12H2,1-4H3
InChIKeyODBIVQOYGOWAGZ-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.50
Rot. Bonds4

About 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol

3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol (PubChem CID 169171978) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
PubChem CID169171978
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC1(C)CCC2(CCC(OCC(C)(C)CO)O2)CC1
InChIInChI=1S/C16H30O3/c1-14(2)7-9-16(10-8-14)6-5-13(19-16)18-12-15(3,4)11-17/h13,17H,5-12H2,1-4H3
InChIKeyODBIVQOYGOWAGZ-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol (CID 169171978) is 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol is CC1(C)CCC2(CCC(OCC(C)(C)CO)O2)CC1.
What is the InChIKey of 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol?
The InChIKey is ODBIVQOYGOWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-14(2)7-9-16(10-8-14)6-5-13(19-16)18-12-15(3,4)11-17/h13,17H,5-12H2,1-4H3.
What are the key properties of 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol?
3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 169171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).