3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

C11H18O — CID 168932685

IUPAC3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1COC2(CCCC2)C1
InChIInChI=1S/C11H18O/c1-9(2)10-7-11(12-8-10)5-3-4-6-11/h10H,1,3-8H2,2H3
InChIKeyZHTYINGLRMOZCO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds1

About 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane

3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (PubChem CID 168932685) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
PubChem CID168932685
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
SMILESC=C(C)C1COC2(CCCC2)C1
InChIInChI=1S/C11H18O/c1-9(2)10-7-11(12-8-10)5-3-4-6-11/h10H,1,3-8H2,2H3
InChIKeyZHTYINGLRMOZCO-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
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-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The IUPAC name of 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane (CID 168932685) is 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The canonical SMILES for 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is C=C(C)C1COC2(CCCC2)C1.
What is the InChIKey of 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
The InChIKey is ZHTYINGLRMOZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)10-7-11(12-8-10)5-3-4-6-11/h10H,1,3-8H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane?
3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 168932685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).