6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane

C12H20O2 — CID 131884336

IUPAC6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC=C(C)C1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-12/h3,11H,4-9H2,1-2H3
InChIKeyZZLSISGDGWMJAQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds1

About 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane

6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 131884336) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID131884336
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC=C(C)C1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-12/h3,11H,4-9H2,1-2H3
InChIKeyZZLSISGDGWMJAQ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-2-en-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane (CID 131884336) is 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane is CC=C(C)C1CCCCC12OCCO2.
What is the InChIKey of 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZZLSISGDGWMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-12/h3,11H,4-9H2,1-2H3.
What are the key properties of 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane?
6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 131884336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).