2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H36B2O5 — CID 11954731

IUPAC2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(OC(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C19H36B2O5/c1-16(2)17(3,4)24-20(23-16)15(14-12-10-9-11-13-14)22-21-25-18(5,6)19(7,8)26-21/h14-15H,9-13H2,1-8H3
InChIKeyZQJOCLPCJNEMBW-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.17
Rot. Bonds4

About 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11954731) has the molecular formula C19H36B2O5 and a molecular weight of 366.12 g/mol. Its IUPAC name is 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11954731
Molecular FormulaC19H36B2O5
Molecular Weight366.12 g/mol
Exact Mass366.27
IUPAC Name2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(OC(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C19H36B2O5/c1-16(2)17(3,4)24-20(23-16)15(14-12-10-9-11-13-14)22-21-25-18(5,6)19(7,8)26-21/h14-15H,9-13H2,1-8H3
InChIKeyZQJOCLPCJNEMBW-UHFFFAOYSA-N
XLogP4.17
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[Cyclohexyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712802
2-[1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72681015
4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane
CID 135061494
2-[(1R)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135061958
2-[2-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154711797
2-[1-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154711809
2-[7-Methoxy-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712174
(1S,2S)-1-cyclohexyl-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154718475
2-[3-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162417811
2-[2,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89566555
2-Butan-2-yl-4,4,5-trimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane
CID 173841707
2,2'-(1-Cyclohexylpropane-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 176911835

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11954731) is 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(OC(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C.
What is the InChIKey of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZQJOCLPCJNEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36B2O5/c1-16(2)17(3,4)24-20(23-16)15(14-12-10-9-11-13-14)22-21-25-18(5,6)19(7,8)26-21/h14-15H,9-13H2,1-8H3.
What are the key properties of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 366.12 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11954731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).