6-but-3-enyl-1,4-dioxaspiro[4.5]decane

C12H20O2 — CID 121010201

IUPAC6-but-3-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-12/h2,11H,1,3-10H2
InChIKeyMSIYRRGTFKKNCK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 6-but-3-enyl-1,4-dioxaspiro[4.5]decane

6-but-3-enyl-1,4-dioxaspiro[4.5]decane (PubChem CID 121010201) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-but-3-enyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-but-3-enyl-1,4-dioxaspiro[4.5]decane
PubChem CID121010201
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-but-3-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-12/h2,11H,1,3-10H2
InChIKeyMSIYRRGTFKKNCK-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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 6-but-3-enyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-but-3-enyl-1,4-dioxaspiro[4.5]decane (CID 121010201) is 6-but-3-enyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-but-3-enyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-but-3-enyl-1,4-dioxaspiro[4.5]decane is C=CCCC1CCCCC12OCCO2.
What is the InChIKey of 6-but-3-enyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is MSIYRRGTFKKNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14-12/h2,11H,1,3-10H2.
What are the key properties of 6-but-3-enyl-1,4-dioxaspiro[4.5]decane?
6-but-3-enyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 121010201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).