(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol

C12H20O2 — CID 11593605

IUPAC(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESC=C1COC2(CCCCC2)CC1CO
InChIInChI=1S/C12H20O2/c1-10-9-14-12(7-11(10)8-13)5-3-2-4-6-12/h11,13H,1-9H2
InChIKeyFVKJPMUGJKUMAU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.27
Rot. Bonds1

About (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol

(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 11593605) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID11593605
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESC=C1COC2(CCCCC2)CC1CO
InChIInChI=1S/C12H20O2/c1-10-9-14-12(7-11(10)8-13)5-3-2-4-6-12/h11,13H,1-9H2
InChIKeyFVKJPMUGJKUMAU-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.27
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 (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol (CID 11593605) is (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol is C=C1COC2(CCCCC2)CC1CO.
What is the InChIKey of (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is FVKJPMUGJKUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-9-14-12(7-11(10)8-13)5-3-2-4-6-12/h11,13H,1-9H2.
What are the key properties of (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol?
(3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 196.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 11593605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).