2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H29BO2 — CID 166440276

IUPAC2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@@H](CB1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H29BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyJPWPSJOTOGJAKL-LBPRGKRZSA-N
MW252.21 g/mol
LogP4.30
Rot. Bonds3

About 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 166440276) has the molecular formula C15H29BO2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID166440276
Molecular FormulaC15H29BO2
Molecular Weight252.21 g/mol
Exact Mass252.23
IUPAC Name2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@@H](CB1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H29BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyJPWPSJOTOGJAKL-LBPRGKRZSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.30
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-(Cyclohexylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72219059
rac-2-[(1R,6S,7R)-bicyclo[4.1.0]heptan-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132353869
2-{Bicyclo[4.1.0]heptan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137951489
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
rac-2-[(1R,2R)-2-cyclopentylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145912982
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-(Bicyclo[3.2.1]octan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009346

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 166440276) is 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C[C@@H](CB1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JPWPSJOTOGJAKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 252.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyclohexylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 166440276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).