1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol

C13H22O4 — CID 15663383

IUPAC1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol
SMILESCC1=C(C(O)CO)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C13H22O4/c1-9-4-5-13(16-6-7-17-13)12(2,3)11(9)10(15)8-14/h10,14-15H,4-8H2,1-3H3
InChIKeyWXABDYIVJXRDOC-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.22
Rot. Bonds2

About 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol

1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol (PubChem CID 15663383) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol
PubChem CID15663383
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol
SMILESCC1=C(C(O)CO)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C13H22O4/c1-9-4-5-13(16-6-7-17-13)12(2,3)11(9)10(15)8-14/h10,14-15H,4-8H2,1-3H3
InChIKeyWXABDYIVJXRDOC-UHFFFAOYSA-N
XLogP1.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol?
The IUPAC name of 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol (CID 15663383) is 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol?
The canonical SMILES for 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol is CC1=C(C(O)CO)C(C)(C)C2(CC1)OCCO2.
What is the InChIKey of 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol?
The InChIKey is WXABDYIVJXRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-9-4-5-13(16-6-7-17-13)12(2,3)11(9)10(15)8-14/h10,14-15H,4-8H2,1-3H3.
What are the key properties of 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol?
1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol has a molecular weight of 242.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethane-1,2-diol is sourced from PubChem (CID 15663383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).