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

C11H18O2 — CID 10375082

IUPAC4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol
SMILESC=C1C(O)OC2(CCCCC2)C1C
InChIInChI=1S/C11H18O2/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11/h9-10,12H,1,3-7H2,2H3
InChIKeyFJSJMSGZCDCUOI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds

About 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol

4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol (PubChem CID 10375082) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol
PubChem CID10375082
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol
SMILESC=C1C(O)OC2(CCCCC2)C1C
InChIInChI=1S/C11H18O2/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11/h9-10,12H,1,3-7H2,2H3
InChIKeyFJSJMSGZCDCUOI-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
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 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol?
The IUPAC name of 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol (CID 10375082) is 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol.
What is the SMILES notation for 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol?
The canonical SMILES for 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol is C=C1C(O)OC2(CCCCC2)C1C.
What is the InChIKey of 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol?
The InChIKey is FJSJMSGZCDCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-9(2)11(13-10(8)12)6-4-3-5-7-11/h9-10,12H,1,3-7H2,2H3.
What are the key properties of 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol?
4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-ol is sourced from PubChem (CID 10375082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).