2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H31BO2 — CID 155793201

IUPAC2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(CB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H31BO2/c1-7-16(8-2)10-9-13(11-16)12-17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3
InChIKeyYZYZXBMYNDBQQG-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.69
Rot. Bonds4

About 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155793201) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155793201
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(CB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H31BO2/c1-7-16(8-2)10-9-13(11-16)12-17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3
InChIKeyYZYZXBMYNDBQQG-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.69
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

4,4,5,5-Tetramethyl-2-{spiro[2.4]heptan-1-yl}-1,3,2-dioxaborolane
CID 145915468
2-(2-Cyclopentylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134978921
2-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857
4,4,5,5-Tetramethyl-2-(spiro[3.4]octan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162408040
4,4,5,5-Tetramethyl-2-(3-(2-(3-methylcyclopentyl)propan-2-yl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510819
2-(3-(Cyclopentylmethyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510867
2-(2,2-Dimethylcyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68253861
2-(3-Cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73995118
4,4,5,5-Tetramethyl-2-(3,3,4,4-tetramethylcyclopentyl)-1,3,2-dioxaborolane
CID 140729082
2-[2-(3,4-Dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145395479
4,4,5,5-Tetramethyl-2-(7,7,8,8,9-pentamethyldecan-5-yl)-1,3,2-dioxaborolane
CID 149619183
2-[2-(3,3-Diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155793252

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155793201) is 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1(CC)CCC(CB2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YZYZXBMYNDBQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO2/c1-7-16(8-2)10-9-13(11-16)12-17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3.
What are the key properties of 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-diethylcyclopentyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155793201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).