9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane

C11H18O — CID 134357651

IUPAC9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane
SMILESC=C(C)C1CCOCC12CCC2
InChIInChI=1S/C11H18O/c1-9(2)10-4-7-12-8-11(10)5-3-6-11/h10H,1,3-8H2,2H3
InChIKeyYKAPXTDGADTJTA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds1

About 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane

9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane (PubChem CID 134357651) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane
PubChem CID134357651
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane
SMILESC=C(C)C1CCOCC12CCC2
InChIInChI=1S/C11H18O/c1-9(2)10-4-7-12-8-11(10)5-3-6-11/h10H,1,3-8H2,2H3
InChIKeyYKAPXTDGADTJTA-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane?
The IUPAC name of 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane (CID 134357651) is 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane.
What is the SMILES notation for 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane?
The canonical SMILES for 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane is C=C(C)C1CCOCC12CCC2.
What is the InChIKey of 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane?
The InChIKey is YKAPXTDGADTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)10-4-7-12-8-11(10)5-3-6-11/h10H,1,3-8H2,2H3.
What are the key properties of 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane?
9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-1-en-2-yl-6-oxaspiro[3.5]nonane is sourced from PubChem (CID 134357651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).