4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane

C16H27BO3 — CID 140813860

IUPAC4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CCCCO3)CC2)OC1(C)C
InChIInChI=1S/C16H27BO3/c1-14(2)15(3,4)20-17(19-14)13-7-10-16(11-8-13)9-5-6-12-18-16/h7H,5-6,8-12H2,1-4H3
InChIKeyBTGYGXFNDXGOAK-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.67
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane (PubChem CID 140813860) has the molecular formula C16H27BO3 and a molecular weight of 278.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
PubChem CID140813860
Molecular FormulaC16H27BO3
Molecular Weight278.20 g/mol
Exact Mass278.21
IUPAC Name4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CCCCO3)CC2)OC1(C)C
InChIInChI=1S/C16H27BO3/c1-14(2)15(3,4)20-17(19-14)13-7-10-16(11-8-13)9-5-6-12-18-16/h7H,5-6,8-12H2,1-4H3
InChIKeyBTGYGXFNDXGOAK-UHFFFAOYSA-N
XLogP3.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90456155
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
CID 142308201
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609
8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene
CID 177049602
2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175968303
2-[4,4-bis(methoxymethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146744078
dipropan-2-yl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1,1-dicarboxylate
CID 123641384
5-isocyanofuran-2-carboxylic acid;4,4,5,5-tetramethyl-2-spiro[4.5]dec-8-en-8-yl-1,3,2-dioxaborolane
CID 161471985
8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene
CID 178148717
2-[4-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154608288
(11Z)-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-dioxacyclotetradec-11-ene-2,7-dione
CID 140735206
2-methyl-1-oxaspiro[4.5]dec-2-ene
CID 11367104

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane (CID 140813860) is 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CCCCO3)CC2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane?
The InChIKey is BTGYGXFNDXGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BO3/c1-14(2)15(3,4)20-17(19-14)13-7-10-16(11-8-13)9-5-6-12-18-16/h7H,5-6,8-12H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane has a molecular weight of 278.20 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 140813860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).