2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol

C15H28O3 — CID 23815485

IUPAC2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol
SMILESCC1(CCO)CC2(CCC(C(C)(C)C)CC2)OO1
InChIInChI=1S/C15H28O3/c1-13(2,3)12-5-7-15(8-6-12)11-14(4,9-10-16)17-18-15/h12,16H,5-11H2,1-4H3
InChIKeyRWJLCLCUNHUSPG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.45
Rot. Bonds2

About 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol

2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol (PubChem CID 23815485) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol.

Molecular Properties

Compound Name2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol
PubChem CID23815485
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol
SMILESCC1(CCO)CC2(CCC(C(C)(C)C)CC2)OO1
InChIInChI=1S/C15H28O3/c1-13(2,3)12-5-7-15(8-6-12)11-14(4,9-10-16)17-18-15/h12,16H,5-11H2,1-4H3
InChIKeyRWJLCLCUNHUSPG-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol?
The IUPAC name of 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol (CID 23815485) is 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol.
What is the SMILES notation for 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol?
The canonical SMILES for 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol is CC1(CCO)CC2(CCC(C(C)(C)C)CC2)OO1.
What is the InChIKey of 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol?
The InChIKey is RWJLCLCUNHUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-13(2,3)12-5-7-15(8-6-12)11-14(4,9-10-16)17-18-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol?
2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol has a molecular weight of 256.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol is sourced from PubChem (CID 23815485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).