[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide

C10H20BClNO2- — CID 176700200

IUPAC[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide
SMILESCC1(C)OB([C@@H]([NH-])CCCCl)OC1(C)C
InChIInChI=1S/C10H20BClNO2/c1-9(2)10(3,4)15-11(14-9)8(13)6-5-7-12/h8,13H,5-7H2,1-4H3/q-1/t8-/m0/s1
InChIKeyGBSPQVNQEZBOTN-QMMMGPOBSA-N
MW232.54 g/mol
LogP3.06
Rot. Bonds4

About [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide

[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide (PubChem CID 176700200) has the molecular formula C10H20BClNO2- and a molecular weight of 232.54 g/mol. Its IUPAC name is [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide.

Molecular Properties

Compound Name[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide
PubChem CID176700200
Molecular FormulaC10H20BClNO2-
Molecular Weight232.54 g/mol
Exact Mass232.13
IUPAC Name[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide
SMILESCC1(C)OB([C@@H]([NH-])CCCCl)OC1(C)C
InChIInChI=1S/C10H20BClNO2/c1-9(2)10(3,4)15-11(14-9)8(13)6-5-7-12/h8,13H,5-7H2,1-4H3/q-1/t8-/m0/s1
InChIKeyGBSPQVNQEZBOTN-QMMMGPOBSA-N
XLogP3.06
TPSA42.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 175053439
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
2-[(E)-5-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11128132
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100963624
2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74787913
1,7-dichloro-4-methylheptane
CID 175347315
2-(1-bromoethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10399156
2-[(1S)-1-chlorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57122787
4,4,5,5-tetramethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,2-dioxaborolane
CID 154712541
3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 71484184
(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
CID 140926718

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide?
The IUPAC name of [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide (CID 176700200) is [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide.
What is the SMILES notation for [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide?
The canonical SMILES for [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide is CC1(C)OB([C@@H]([NH-])CCCCl)OC1(C)C.
What is the InChIKey of [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide?
The InChIKey is GBSPQVNQEZBOTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20BClNO2/c1-9(2)10(3,4)15-11(14-9)8(13)6-5-7-12/h8,13H,5-7H2,1-4H3/q-1/t8-/m0/s1.
What are the key properties of [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide?
[(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide has a molecular weight of 232.54 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanide is sourced from PubChem (CID 176700200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).