2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H18BO2P — CID 90048473

IUPAC2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCPC=C2)OC1(C)C
InChIInChI=1S/C11H18BO2P/c1-10(2)11(3,4)14-12(13-10)9-5-7-15-8-6-9/h5-7,15H,8H2,1-4H3
InChIKeyOVMDSGCJJLWWEF-UHFFFAOYSA-N
MW224.05 g/mol
LogP2.75
Rot. Bonds1

About 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90048473) has the molecular formula C11H18BO2P and a molecular weight of 224.05 g/mol. Its IUPAC name is 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90048473
Molecular FormulaC11H18BO2P
Molecular Weight224.05 g/mol
Exact Mass224.11
IUPAC Name2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCPC=C2)OC1(C)C
InChIInChI=1S/C11H18BO2P/c1-10(2)11(3,4)14-12(13-10)9-5-7-15-8-6-9/h5-7,15H,8H2,1-4H3
InChIKeyOVMDSGCJJLWWEF-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,9-dihydro-1,3-thiazonine
CID 123903940
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-diene-1-carboxylate
CID 146806017
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-azepine
CID 156736954
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
CID 166476928
4-ethyl-4,5,5-trimethyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,2-dioxaborolane
CID 151417335
4,4,5,5-tetramethyl-2-(5-methyl-2-phenylcyclohexa-1,4-dien-1-yl)-1,3,2-dioxaborolane
CID 101255930
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
2-[5,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102497694
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 152792101
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90048473) is 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCPC=C2)OC1(C)C.
What is the InChIKey of 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OVMDSGCJJLWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BO2P/c1-10(2)11(3,4)14-12(13-10)9-5-7-15-8-6-9/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 224.05 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90048473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).