4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane

C12H23BO2 — CID 101198944

IUPAC4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
SMILESC[C@@H]1CCC[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-9-7-6-8-10(9)13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyARKXZWUPFWUCOM-ZJUUUORDSA-N
MW210.13 g/mol
LogP3.27
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane (PubChem CID 101198944) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
PubChem CID101198944
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
SMILESC[C@@H]1CCC[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-9-7-6-8-10(9)13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyARKXZWUPFWUCOM-ZJUUUORDSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
CID 105482748
CID 137258545
CID 137258545
2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74788899
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
CID 53216775
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90890590
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
CID 99774006
4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
CID 155859006
2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514
2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102261791
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane (CID 101198944) is 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane is C[C@@H]1CCC[C@@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane?
The InChIKey is ARKXZWUPFWUCOM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23BO2/c1-9-7-6-8-10(9)13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.27, 1 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-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 101198944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).