3-methyl-1-oxaspiro[4.5]decan-2-ol

C10H18O2 — CID 13047876

IUPAC3-methyl-1-oxaspiro[4.5]decan-2-ol
SMILESCC1CC2(CCCCC2)OC1O
InChIInChI=1S/C10H18O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h8-9,11H,2-7H2,1H3
InChIKeyPHERHOACYHFNCA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.06
Rot. Bonds

About 3-methyl-1-oxaspiro[4.5]decan-2-ol

3-methyl-1-oxaspiro[4.5]decan-2-ol (PubChem CID 13047876) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-1-oxaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name3-methyl-1-oxaspiro[4.5]decan-2-ol
PubChem CID13047876
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-1-oxaspiro[4.5]decan-2-ol
SMILESCC1CC2(CCCCC2)OC1O
InChIInChI=1S/C10H18O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h8-9,11H,2-7H2,1H3
InChIKeyPHERHOACYHFNCA-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxaspiro[4.5]decan-2-ol?
The IUPAC name of 3-methyl-1-oxaspiro[4.5]decan-2-ol (CID 13047876) is 3-methyl-1-oxaspiro[4.5]decan-2-ol.
What is the SMILES notation for 3-methyl-1-oxaspiro[4.5]decan-2-ol?
The canonical SMILES for 3-methyl-1-oxaspiro[4.5]decan-2-ol is CC1CC2(CCCCC2)OC1O.
What is the InChIKey of 3-methyl-1-oxaspiro[4.5]decan-2-ol?
The InChIKey is PHERHOACYHFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-methyl-1-oxaspiro[4.5]decan-2-ol?
3-methyl-1-oxaspiro[4.5]decan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxaspiro[4.5]decan-2-ol is sourced from PubChem (CID 13047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).