8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C13H22O3 — CID 14759593

IUPAC8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H22O3/c1-5-13(14)10(2)8-12(9-11(13,3)4)15-6-7-16-12/h8,14H,5-7,9H2,1-4H3
InChIKeyMUVDBVPFJLCTOJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds1

About 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 14759593) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID14759593
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H22O3/c1-5-13(14)10(2)8-12(9-11(13,3)4)15-6-7-16-12/h8,14H,5-7,9H2,1-4H3
InChIKeyMUVDBVPFJLCTOJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
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-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 14759593) is 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCC1(O)C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is MUVDBVPFJLCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-13(14)10(2)8-12(9-11(13,3)4)15-6-7-16-12/h8,14H,5-7,9H2,1-4H3.
What are the key properties of 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 14759593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).