8-deuteriospiro[4.5]decane

C10H18 — CID 175750196

IUPAC8-deuteriospiro[4.5]decane
SMILES[2H]C1CCC2(CCCC2)CC1
InChIInChI=1S/C10H18/c1-2-6-10(7-3-1)8-4-5-9-10/h1-9H2/i1D
InChIKeyCTDQAGUNKPRERK-MICDWDOJSA-N
MW139.26 g/mol
LogP3.51
Rot. Bonds

About 8-deuteriospiro[4.5]decane

8-deuteriospiro[4.5]decane (PubChem CID 175750196) has the molecular formula C10H18 and a molecular weight of 139.26 g/mol. Its IUPAC name is 8-deuteriospiro[4.5]decane.

Molecular Properties

Compound Name8-deuteriospiro[4.5]decane
PubChem CID175750196
Molecular FormulaC10H18
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name8-deuteriospiro[4.5]decane
SMILES[2H]C1CCC2(CCCC2)CC1
InChIInChI=1S/C10H18/c1-2-6-10(7-3-1)8-4-5-9-10/h1-9H2/i1D
InChIKeyCTDQAGUNKPRERK-MICDWDOJSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-deuteriospiro[4.5]decane?
The IUPAC name of 8-deuteriospiro[4.5]decane (CID 175750196) is 8-deuteriospiro[4.5]decane.
What is the SMILES notation for 8-deuteriospiro[4.5]decane?
The canonical SMILES for 8-deuteriospiro[4.5]decane is [2H]C1CCC2(CCCC2)CC1.
What is the InChIKey of 8-deuteriospiro[4.5]decane?
The InChIKey is CTDQAGUNKPRERK-MICDWDOJSA-N. The full InChI is InChI=1S/C10H18/c1-2-6-10(7-3-1)8-4-5-9-10/h1-9H2/i1D.
What are the key properties of 8-deuteriospiro[4.5]decane?
8-deuteriospiro[4.5]decane has a molecular weight of 139.26 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-deuteriospiro[4.5]decane is sourced from PubChem (CID 175750196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).