2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H29BO3 — CID 90456155

IUPAC2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OCCC12CC=C(B1OC(C)(C)C(C)(C)O1)CC2
InChIInChI=1S/C17H29BO3/c1-14(2)15(3,4)21-18(20-14)13-7-9-17(10-8-13)11-12-19-16(17,5)6/h7H,8-12H2,1-6H3
InChIKeyOCGPNABCQQTNCW-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.91
Rot. Bonds1

About 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90456155) has the molecular formula C17H29BO3 and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90456155
Molecular FormulaC17H29BO3
Molecular Weight292.23 g/mol
Exact Mass292.22
IUPAC Name2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OCCC12CC=C(B1OC(C)(C)C(C)(C)O1)CC2
InChIInChI=1S/C17H29BO3/c1-14(2)15(3,4)21-18(20-14)13-7-9-17(10-8-13)11-12-19-16(17,5)6/h7H,8-12H2,1-6H3
InChIKeyOCGPNABCQQTNCW-UHFFFAOYSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90456155) is 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OCCC12CC=C(B1OC(C)(C)C(C)(C)O1)CC2.
What is the InChIKey of 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OCGPNABCQQTNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO3/c1-14(2)15(3,4)21-18(20-14)13-7-9-17(10-8-13)11-12-19-16(17,5)6/h7H,8-12H2,1-6H3.
What are the key properties of 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.23 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90456155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).