(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol

C11H18O3 — CID 130124194

IUPAC(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCCC1(CO)C=CC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,12H,2,4,6-9H2,1H3
InChIKeyIRWYTLXEZJKYIR-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds2

About (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol

(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol (PubChem CID 130124194) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol.

Molecular Properties

Compound Name(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
PubChem CID130124194
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCCC1(CO)C=CC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,12H,2,4,6-9H2,1H3
InChIKeyIRWYTLXEZJKYIR-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The IUPAC name of (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol (CID 130124194) is (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol.
What is the SMILES notation for (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The canonical SMILES for (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol is CCC1(CO)C=CC2(CC1)OCCO2.
What is the InChIKey of (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The InChIKey is IRWYTLXEZJKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,12H,2,4,6-9H2,1H3.
What are the key properties of (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
(8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol is sourced from PubChem (CID 130124194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).