2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol

C14H24O3 — CID 54351358

IUPAC2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol
SMILESCC(C)(C)C1=CCC2(CC1)OCC(CCO)O2
InChIInChI=1S/C14H24O3/c1-13(2,3)11-4-7-14(8-5-11)16-10-12(17-14)6-9-15/h4,12,15H,5-10H2,1-3H3
InChIKeyUFZYVTZEUYZDHM-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.64
Rot. Bonds2

About 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol

2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol (PubChem CID 54351358) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol.

Molecular Properties

Compound Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol
PubChem CID54351358
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol
SMILESCC(C)(C)C1=CCC2(CC1)OCC(CCO)O2
InChIInChI=1S/C14H24O3/c1-13(2,3)11-4-7-14(8-5-11)16-10-12(17-14)6-9-15/h4,12,15H,5-10H2,1-3H3
InChIKeyUFZYVTZEUYZDHM-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol?
The IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol (CID 54351358) is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol.
What is the SMILES notation for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol?
The canonical SMILES for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol is CC(C)(C)C1=CCC2(CC1)OCC(CCO)O2.
What is the InChIKey of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol?
The InChIKey is UFZYVTZEUYZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(2,3)11-4-7-14(8-5-11)16-10-12(17-14)6-9-15/h4,12,15H,5-10H2,1-3H3.
What are the key properties of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol?
2-(8-tert-butyl-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol has a molecular weight of 240.34 g/mol, XLogP of 2.64, 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-1,4-dioxaspiro[4.5]dec-7-en-3-yl)ethanol is sourced from PubChem (CID 54351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).