3-methyl-2-oxaspiro[4.5]decane

C10H18O — CID 13229869

IUPAC3-methyl-2-oxaspiro[4.5]decane
SMILESCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H18O/c1-9-7-10(8-11-9)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyXQEVUSFWVOZKJV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.75
Rot. Bonds

About 3-methyl-2-oxaspiro[4.5]decane

3-methyl-2-oxaspiro[4.5]decane (PubChem CID 13229869) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-2-oxaspiro[4.5]decane
PubChem CID13229869
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-2-oxaspiro[4.5]decane
SMILESCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H18O/c1-9-7-10(8-11-9)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyXQEVUSFWVOZKJV-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxaspiro[4.5]decane?
The IUPAC name of 3-methyl-2-oxaspiro[4.5]decane (CID 13229869) is 3-methyl-2-oxaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-2-oxaspiro[4.5]decane?
The canonical SMILES for 3-methyl-2-oxaspiro[4.5]decane is CC1CC2(CCCCC2)CO1.
What is the InChIKey of 3-methyl-2-oxaspiro[4.5]decane?
The InChIKey is XQEVUSFWVOZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9-7-10(8-11-9)5-3-2-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 3-methyl-2-oxaspiro[4.5]decane?
3-methyl-2-oxaspiro[4.5]decane has a molecular weight of 154.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxaspiro[4.5]decane is sourced from PubChem (CID 13229869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).