4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane

C16H31BO2 — CID 102347051

IUPAC4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-11(2)13-9-8-12(3)10-14(13)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyGXENTCUOLKUXOV-HZSPNIEDSA-N
MW266.23 g/mol
LogP4.54
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane (PubChem CID 102347051) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
PubChem CID102347051
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-11(2)13-9-8-12(3)10-14(13)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyGXENTCUOLKUXOV-HZSPNIEDSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.54
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-(Cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14425021
2-(3,5-Dimethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121553466
2-(2-Cyclohexylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874387
4,4,5,5-Tetramethyl-2-(6-methylspiro(2.5)octan-1-yl)-1,3,2-dioxaborolane
CID 165498125
4,4,5,5-Tetramethyl-2-(1-methylcyclohexyl)-1,3,2-dioxaborolane
CID 11806311
2-(2-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259990
2-(1-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73006462
2-(1-Cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821159
4,4,5,5-tetramethyl-2-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 134966185
2-(1-Cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135065031
2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138984256
4,4,5,5-Tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162409705

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane (CID 102347051) is 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane?
The InChIKey is GXENTCUOLKUXOV-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H31BO2/c1-11(2)13-9-8-12(3)10-14(13)17-18-15(4,5)16(6,7)19-17/h11-14H,8-10H2,1-7H3/t12-,13+,14-/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.54, 2 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-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102347051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).