2-but-3-enyl-1,6-dioxaspiro[4.4]nonane

C11H18O2 — CID 78068843

IUPAC2-but-3-enyl-1,6-dioxaspiro[4.4]nonane
SMILESC=CCCC1CCC2(CCCO2)O1
InChIInChI=1S/C11H18O2/c1-2-3-5-10-6-8-11(13-10)7-4-9-12-11/h2,10H,1,3-9H2
InChIKeyRSDHUZXFIDRLHR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds3

About 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane

2-but-3-enyl-1,6-dioxaspiro[4.4]nonane (PubChem CID 78068843) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-but-3-enyl-1,6-dioxaspiro[4.4]nonane
PubChem CID78068843
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-but-3-enyl-1,6-dioxaspiro[4.4]nonane
SMILESC=CCCC1CCC2(CCCO2)O1
InChIInChI=1S/C11H18O2/c1-2-3-5-10-6-8-11(13-10)7-4-9-12-11/h2,10H,1,3-9H2
InChIKeyRSDHUZXFIDRLHR-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
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 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane (CID 78068843) is 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane is C=CCCC1CCC2(CCCO2)O1.
What is the InChIKey of 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is RSDHUZXFIDRLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-5-10-6-8-11(13-10)7-4-9-12-11/h2,10H,1,3-9H2.
What are the key properties of 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane?
2-but-3-enyl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 78068843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).