8-deuterio-8-methyl-2-oxaspiro[4.5]decane

C10H18O — CID 162771232

IUPAC8-deuterio-8-methyl-2-oxaspiro[4.5]decane
SMILES[2H]C1(C)CCC2(CCOC2)CC1
InChIInChI=1S/C10H18O/c1-9-2-4-10(5-3-9)6-7-11-8-10/h9H,2-8H2,1H3/i9D
InChIKeyKBMBNQCZVLJXTE-QOWOAITPSA-N
MW155.26 g/mol
LogP2.60
Rot. Bonds

About 8-deuterio-8-methyl-2-oxaspiro[4.5]decane

8-deuterio-8-methyl-2-oxaspiro[4.5]decane (PubChem CID 162771232) has the molecular formula C10H18O and a molecular weight of 155.26 g/mol. Its IUPAC name is 8-deuterio-8-methyl-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name8-deuterio-8-methyl-2-oxaspiro[4.5]decane
PubChem CID162771232
Molecular FormulaC10H18O
Molecular Weight155.26 g/mol
Exact Mass155.14
IUPAC Name8-deuterio-8-methyl-2-oxaspiro[4.5]decane
SMILES[2H]C1(C)CCC2(CCOC2)CC1
InChIInChI=1S/C10H18O/c1-9-2-4-10(5-3-9)6-7-11-8-10/h9H,2-8H2,1H3/i9D
InChIKeyKBMBNQCZVLJXTE-QOWOAITPSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-deuterio-8-methyl-2-oxaspiro[4.5]decane?
The IUPAC name of 8-deuterio-8-methyl-2-oxaspiro[4.5]decane (CID 162771232) is 8-deuterio-8-methyl-2-oxaspiro[4.5]decane.
What is the SMILES notation for 8-deuterio-8-methyl-2-oxaspiro[4.5]decane?
The canonical SMILES for 8-deuterio-8-methyl-2-oxaspiro[4.5]decane is [2H]C1(C)CCC2(CCOC2)CC1.
What is the InChIKey of 8-deuterio-8-methyl-2-oxaspiro[4.5]decane?
The InChIKey is KBMBNQCZVLJXTE-QOWOAITPSA-N. The full InChI is InChI=1S/C10H18O/c1-9-2-4-10(5-3-9)6-7-11-8-10/h9H,2-8H2,1H3/i9D.
What are the key properties of 8-deuterio-8-methyl-2-oxaspiro[4.5]decane?
8-deuterio-8-methyl-2-oxaspiro[4.5]decane has a molecular weight of 155.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-deuterio-8-methyl-2-oxaspiro[4.5]decane is sourced from PubChem (CID 162771232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).