8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene

C8H12O2 — CID 175700300

IUPAC8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene
SMILES[2H]C1=CCC2(CC1)OCCO2
InChIInChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-2H,3-7H2/i1D
InChIKeyAHIKUUYIVLCZGL-MICDWDOJSA-N
MW141.19 g/mol
LogP1.47
Rot. Bonds

About 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene

8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 175700300) has the molecular formula C8H12O2 and a molecular weight of 141.19 g/mol. Its IUPAC name is 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID175700300
Molecular FormulaC8H12O2
Molecular Weight141.19 g/mol
Exact Mass141.09
IUPAC Name8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene
SMILES[2H]C1=CCC2(CC1)OCCO2
InChIInChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-2H,3-7H2/i1D
InChIKeyAHIKUUYIVLCZGL-MICDWDOJSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-deuterio-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene (CID 175700300) is 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene is [2H]C1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is AHIKUUYIVLCZGL-MICDWDOJSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-2H,3-7H2/i1D.
What are the key properties of 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene?
8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 141.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 175700300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).