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

C11H18O2 — CID 11769181

IUPAC5-methylidene-1-oxaspiro[5.5]undecan-2-ol
SMILESC=C1CCC(O)OC12CCCCC2
InChIInChI=1S/C11H18O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h10,12H,1-8H2
InChIKeyLGCXUBARPPZCBT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.37
Rot. Bonds

About 5-methylidene-1-oxaspiro[5.5]undecan-2-ol

5-methylidene-1-oxaspiro[5.5]undecan-2-ol (PubChem CID 11769181) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-methylidene-1-oxaspiro[5.5]undecan-2-ol.

Molecular Properties

Compound Name5-methylidene-1-oxaspiro[5.5]undecan-2-ol
PubChem CID11769181
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-methylidene-1-oxaspiro[5.5]undecan-2-ol
SMILESC=C1CCC(O)OC12CCCCC2
InChIInChI=1S/C11H18O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h10,12H,1-8H2
InChIKeyLGCXUBARPPZCBT-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-ol
CID 145552772
(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-methylideneoxan-2-ol
CID 148281978
2-Ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
CID 10703678
6-Methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
CID 10899887
6-Methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol
CID 11041413
5-Methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
CID 11127890
6-Ethyl-6-methyl-5-methylideneoxan-2-ol
CID 15399793
6,6-Dimethyl-5-methylideneoxan-2-ol
CID 85744281
4-Methylidene-2-oxaspiro[5.5]undecan-1-ol
CID 86004273

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-oxaspiro[5.5]undecan-2-ol?
The IUPAC name of 5-methylidene-1-oxaspiro[5.5]undecan-2-ol (CID 11769181) is 5-methylidene-1-oxaspiro[5.5]undecan-2-ol.
What is the SMILES notation for 5-methylidene-1-oxaspiro[5.5]undecan-2-ol?
The canonical SMILES for 5-methylidene-1-oxaspiro[5.5]undecan-2-ol is C=C1CCC(O)OC12CCCCC2.
What is the InChIKey of 5-methylidene-1-oxaspiro[5.5]undecan-2-ol?
The InChIKey is LGCXUBARPPZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-6-10(12)13-11(9)7-3-2-4-8-11/h10,12H,1-8H2.
What are the key properties of 5-methylidene-1-oxaspiro[5.5]undecan-2-ol?
5-methylidene-1-oxaspiro[5.5]undecan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-oxaspiro[5.5]undecan-2-ol is sourced from PubChem (CID 11769181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).