(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol

C11H18O2 — CID 11367386

IUPAC(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol
SMILESC=C1COC2(CCCCC2)C1CO
InChIInChI=1S/C11H18O2/c1-9-8-13-11(10(9)7-12)5-3-2-4-6-11/h10,12H,1-8H2
InChIKeyGDOJAGZXSYHFJF-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.88
Rot. Bonds1

About (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol

(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol (PubChem CID 11367386) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol
PubChem CID11367386
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol
SMILESC=C1COC2(CCCCC2)C1CO
InChIInChI=1S/C11H18O2/c1-9-8-13-11(10(9)7-12)5-3-2-4-6-11/h10,12H,1-8H2
InChIKeyGDOJAGZXSYHFJF-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.88
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[4.5]decan-4-yl)methanol?
The IUPAC name of (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol (CID 11367386) is (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol.
What is the SMILES notation for (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol?
The canonical SMILES for (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol is C=C1COC2(CCCCC2)C1CO.
What is the InChIKey of (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol?
The InChIKey is GDOJAGZXSYHFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-8-13-11(10(9)7-12)5-3-2-4-6-11/h10,12H,1-8H2.
What are the key properties of (3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol?
(3-methylidene-1-oxaspiro[4.5]decan-4-yl)methanol has a molecular weight of 182.26 g/mol, XLogP of 1.88, 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[4.5]decan-4-yl)methanol is sourced from PubChem (CID 11367386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).