2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

C10H15BO4 — CID 68572880

IUPAC2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESC1=C(B2OCCO2)CCC2(C1)OCCO2
InChIInChI=1S/C10H15BO4/c1-3-10(12-5-6-13-10)4-2-9(1)11-14-7-8-15-11/h1H,2-8H2
InChIKeyOGHMNFVUVHCRJH-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.91
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (PubChem CID 68572880) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
PubChem CID68572880
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESC1=C(B2OCCO2)CCC2(C1)OCCO2
InChIInChI=1S/C10H15BO4/c1-3-10(12-5-6-13-10)4-2-9(1)11-14-7-8-15-11/h1H,2-8H2
InChIKeyOGHMNFVUVHCRJH-UHFFFAOYSA-N
XLogP0.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (CID 68572880) is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is C1=C(B2OCCO2)CCC2(C1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The InChIKey is OGHMNFVUVHCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-3-10(12-5-6-13-10)4-2-9(1)11-14-7-8-15-11/h1H,2-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane has a molecular weight of 210.04 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 68572880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).