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

C12H23BO3 — CID 10013914

IUPACtrans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)OB(C[C@H]2CCC[C@H]2O)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-6-5-7-10(9)14/h9-10,14H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyAZXSBRJHIPULJO-NXEZZACHSA-N
MW226.12 g/mol
LogP2.24
Rot. Bonds2

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

trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol (PubChem CID 10013914) has the molecular formula C12H23BO3 and a molecular weight of 226.12 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
PubChem CID10013914
Molecular FormulaC12H23BO3
Molecular Weight226.12 g/mol
Exact Mass226.17
IUPAC Nametrans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)OB(C[C@H]2CCC[C@H]2O)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-6-5-7-10(9)14/h9-10,14H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyAZXSBRJHIPULJO-NXEZZACHSA-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

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
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
3-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 115035376
4-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043509
[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 trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol (CID 10013914) is trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol is CC1(C)OB(C[C@H]2CCC[C@H]2O)OC1(C)C.
What is the InChIKey of trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is AZXSBRJHIPULJO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)8-9-6-5-7-10(9)14/h9-10,14H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol?
trans-(1R,2S)-2-[(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 trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 10013914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).