3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol

C12H23BO3 — CID 115035376

IUPAC3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)OB(CC2CCC(O)C2)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-5-6-10(14)7-9/h9-10,14H,5-8H2,1-4H3
InChIKeySBDAMQCHUXCEFQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.24
Rot. Bonds2

About 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol

3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol (PubChem CID 115035376) has the molecular formula C12H23BO3 and a molecular weight of 226.12 g/mol. Its IUPAC name is 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
PubChem CID115035376
Molecular FormulaC12H23BO3
Molecular Weight226.12 g/mol
Exact Mass226.17
IUPAC Name3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)OB(CC2CCC(O)C2)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-5-6-10(14)7-9/h9-10,14H,5-8H2,1-4H3
InChIKeySBDAMQCHUXCEFQ-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10013914
cis-(1S,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10105093
2-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 85092914
(2S)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-2-ol
CID 101487032
(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-2-ol
CID 101552981
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
CID 115027716
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)cyclopentanol
CID 115027717
[2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
CID 160544950

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol (CID 115035376) is 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol is CC1(C)OB(CC2CCC(O)C2)OC1(C)C.
What is the InChIKey of 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is SBDAMQCHUXCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-5-6-10(14)7-9/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 226.12 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115035376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).