3-methylidene-1-oxaspiro[4.5]decane

C10H16O — CID 642945

IUPAC3-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1COC2(CCCCC2)C1
InChIInChI=1S/C10H16O/c1-9-7-10(11-8-9)5-3-2-4-6-10/h1-8H2
InChIKeyLAEGIJZDZHAVOQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds

About 3-methylidene-1-oxaspiro[4.5]decane

3-methylidene-1-oxaspiro[4.5]decane (PubChem CID 642945) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylidene-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methylidene-1-oxaspiro[4.5]decane
PubChem CID642945
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1COC2(CCCCC2)C1
InChIInChI=1S/C10H16O/c1-9-7-10(11-8-9)5-3-2-4-6-10/h1-8H2
InChIKeyLAEGIJZDZHAVOQ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]decane?
The IUPAC name of 3-methylidene-1-oxaspiro[4.5]decane (CID 642945) is 3-methylidene-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3-methylidene-1-oxaspiro[4.5]decane?
The canonical SMILES for 3-methylidene-1-oxaspiro[4.5]decane is C=C1COC2(CCCCC2)C1.
What is the InChIKey of 3-methylidene-1-oxaspiro[4.5]decane?
The InChIKey is LAEGIJZDZHAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9-7-10(11-8-9)5-3-2-4-6-10/h1-8H2.
What are the key properties of 3-methylidene-1-oxaspiro[4.5]decane?
3-methylidene-1-oxaspiro[4.5]decane has a molecular weight of 152.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-oxaspiro[4.5]decane is sourced from PubChem (CID 642945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).