4-methylidene-2-oxaspiro[5.5]undecan-1-ol

C11H18O2 — CID 86004273

IUPAC4-methylidene-2-oxaspiro[5.5]undecan-1-ol
SMILESC=C1COC(O)C2(CCCCC2)C1
InChIInChI=1S/C11H18O2/c1-9-7-11(10(12)13-8-9)5-3-2-4-6-11/h10,12H,1-8H2
InChIKeyRMBTXFVNPIBHBB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds

About 4-methylidene-2-oxaspiro[5.5]undecan-1-ol

4-methylidene-2-oxaspiro[5.5]undecan-1-ol (PubChem CID 86004273) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-methylidene-2-oxaspiro[5.5]undecan-1-ol.

Molecular Properties

Compound Name4-methylidene-2-oxaspiro[5.5]undecan-1-ol
PubChem CID86004273
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-methylidene-2-oxaspiro[5.5]undecan-1-ol
SMILESC=C1COC(O)C2(CCCCC2)C1
InChIInChI=1S/C11H18O2/c1-9-7-11(10(12)13-8-9)5-3-2-4-6-11/h10,12H,1-8H2
InChIKeyRMBTXFVNPIBHBB-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-methylidene-2-oxaspiro[5.5]undecan-1-ol?
The IUPAC name of 4-methylidene-2-oxaspiro[5.5]undecan-1-ol (CID 86004273) is 4-methylidene-2-oxaspiro[5.5]undecan-1-ol.
What is the SMILES notation for 4-methylidene-2-oxaspiro[5.5]undecan-1-ol?
The canonical SMILES for 4-methylidene-2-oxaspiro[5.5]undecan-1-ol is C=C1COC(O)C2(CCCCC2)C1.
What is the InChIKey of 4-methylidene-2-oxaspiro[5.5]undecan-1-ol?
The InChIKey is RMBTXFVNPIBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-7-11(10(12)13-8-9)5-3-2-4-6-11/h10,12H,1-8H2.
What are the key properties of 4-methylidene-2-oxaspiro[5.5]undecan-1-ol?
4-methylidene-2-oxaspiro[5.5]undecan-1-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-methylidene-2-oxaspiro[5.5]undecan-1-ol is sourced from PubChem (CID 86004273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).