4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane

C14H29BO2 — CID 102188713

IUPAC4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
SMILESCCCCCC[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H29BO2/c1-7-8-9-10-11-12(2)15-16-13(3,4)14(5,6)17-15/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyGHWOAHGGMYAYEI-GFCCVEGCSA-N
MW240.20 g/mol
LogP4.44
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane (PubChem CID 102188713) has the molecular formula C14H29BO2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
PubChem CID102188713
Molecular FormulaC14H29BO2
Molecular Weight240.20 g/mol
Exact Mass240.23
IUPAC Name4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
SMILESCCCCCC[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H29BO2/c1-7-8-9-10-11-12(2)15-16-13(3,4)14(5,6)17-15/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyGHWOAHGGMYAYEI-GFCCVEGCSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146168889
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122375570
2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100963624
4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane
CID 132559327
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
10,16-dimethyldotriacontane
CID 91748795
2-methyltetratriacontane
CID 14275207
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane (CID 102188713) is 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane is CCCCCC[C@@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is GHWOAHGGMYAYEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29BO2/c1-7-8-9-10-11-12(2)15-16-13(3,4)14(5,6)17-15/h12H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 240.20 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102188713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).