(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol

C20H37BO3 — CID 101472056

IUPAC(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
SMILESCCCC[C@H]1C[C@@]1(B1OC(C)(C)C(C)(C)O1)[C@H](O)C1CCCCC1
InChIInChI=1S/C20H37BO3/c1-6-7-13-16-14-20(16,17(22)15-11-9-8-10-12-15)21-23-18(2,3)19(4,5)24-21/h15-17,22H,6-14H2,1-5H3/t16-,17+,20-/m0/s1
InChIKeyKLQAYUVIYMDKHT-QKLQHJQFSA-N
MW336.32 g/mol
LogP4.97
Rot. Bonds6

About (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol

(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol (PubChem CID 101472056) has the molecular formula C20H37BO3 and a molecular weight of 336.32 g/mol. Its IUPAC name is (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol.

Molecular Properties

Compound Name(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
PubChem CID101472056
Molecular FormulaC20H37BO3
Molecular Weight336.32 g/mol
Exact Mass336.28
IUPAC Name(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
SMILESCCCC[C@H]1C[C@@]1(B1OC(C)(C)C(C)(C)O1)[C@H](O)C1CCCCC1
InChIInChI=1S/C20H37BO3/c1-6-7-13-16-14-20(16,17(22)15-11-9-8-10-12-15)21-23-18(2,3)19(4,5)24-21/h15-17,22H,6-14H2,1-5H3/t16-,17+,20-/m0/s1
InChIKeyKLQAYUVIYMDKHT-QKLQHJQFSA-N
XLogP4.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
(1R,2S,6R,9S)-2,6-dimethyl-9-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclodecan-1-ol
CID 138971827
(1S,2S)-1-cyclohexyl-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154718475
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154718790
(3S,4R,5S)-5-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-4-methylhexan-3-ol
CID 15222422
5-(4,5-Dicyclohexyl-1,3,2-dioxaborolan-2-yl)-4-methylhexan-3-ol
CID 54383036
5-Octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 124007357
2-[(1R,3S)-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]propan-1-ol
CID 173786082
(1R)-1-[(1R,2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pentan-1-ol
CID 42643232
(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
2-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043508
(3R)-5-octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 125479446

Frequently Asked Questions

What is the IUPAC name of (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol?
The IUPAC name of (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol (CID 101472056) is (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol.
What is the SMILES notation for (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol?
The canonical SMILES for (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol is CCCC[C@H]1C[C@@]1(B1OC(C)(C)C(C)(C)O1)[C@H](O)C1CCCCC1.
What is the InChIKey of (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol?
The InChIKey is KLQAYUVIYMDKHT-QKLQHJQFSA-N. The full InChI is InChI=1S/C20H37BO3/c1-6-7-13-16-14-20(16,17(22)15-11-9-8-10-12-15)21-23-18(2,3)19(4,5)24-21/h15-17,22H,6-14H2,1-5H3/t16-,17+,20-/m0/s1.
What are the key properties of (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol?
(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol has a molecular weight of 336.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol is sourced from PubChem (CID 101472056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).