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

C15H29BO3 — CID 42643232

IUPAC(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol
SMILESCCCC[C@@H](O)[C@]1(B2OC(C)(C)C(C)(C)O2)C[C@H]1C
InChIInChI=1S/C15H29BO3/c1-7-8-9-12(17)15(10-11(15)2)16-18-13(3,4)14(5,6)19-16/h11-12,17H,7-10H2,1-6H3/t11-,12-,15+/m1/s1
InChIKeyTUGKBISLXHBJEX-JMSVASOKSA-N
MW268.21 g/mol
LogP3.41
Rot. Bonds5

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

(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol (PubChem CID 42643232) has the molecular formula C15H29BO3 and a molecular weight of 268.21 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol
PubChem CID42643232
Molecular FormulaC15H29BO3
Molecular Weight268.21 g/mol
Exact Mass268.22
IUPAC Name(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol
SMILESCCCC[C@@H](O)[C@]1(B2OC(C)(C)C(C)(C)O2)C[C@H]1C
InChIInChI=1S/C15H29BO3/c1-7-8-9-12(17)15(10-11(15)2)16-18-13(3,4)14(5,6)19-16/h11-12,17H,7-10H2,1-6H3/t11-,12-,15+/m1/s1
InChIKeyTUGKBISLXHBJEX-JMSVASOKSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.41
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

1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
5-Octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 124007357
(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
CID 101472056
(1R)-1-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-2-methylpropan-1-ol
CID 101472057
(3R)-5-octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 125479446
(3S)-5-octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 125479447
rel-((1R,2S)-2-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)methanol
CID 177846822

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol?
The IUPAC name of (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol (CID 42643232) is (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol?
The canonical SMILES for (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol is CCCC[C@@H](O)[C@]1(B2OC(C)(C)C(C)(C)O2)C[C@H]1C.
What is the InChIKey of (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol?
The InChIKey is TUGKBISLXHBJEX-JMSVASOKSA-N. The full InChI is InChI=1S/C15H29BO3/c1-7-8-9-12(17)15(10-11(15)2)16-18-13(3,4)14(5,6)19-16/h11-12,17H,7-10H2,1-6H3/t11-,12-,15+/m1/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol?
(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol has a molecular weight of 268.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol is sourced from PubChem (CID 42643232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).