dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane

C21H31BO2 — CID 101200151

IUPACdicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane
SMILESC=C(OB(C1CCCCC1)C1CCCCC1)c1ccccc1OC
InChIInChI=1S/C21H31BO2/c1-17(20-15-9-10-16-21(20)23-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,1,3-8,11-14H2,2H3
InChIKeyPQCBLUCTQPGJNM-UHFFFAOYSA-N
MW326.29 g/mol
LogP6.34
Rot. Bonds6

About dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane

dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane (PubChem CID 101200151) has the molecular formula C21H31BO2 and a molecular weight of 326.29 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane
PubChem CID101200151
Molecular FormulaC21H31BO2
Molecular Weight326.29 g/mol
Exact Mass326.24
IUPAC Namedicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane
SMILESC=C(OB(C1CCCCC1)C1CCCCC1)c1ccccc1OC
InChIInChI=1S/C21H31BO2/c1-17(20-15-9-10-16-21(20)23-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,1,3-8,11-14H2,2H3
InChIKeyPQCBLUCTQPGJNM-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100983
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
dicyclohexyl-[(E)-1-phenoxyprop-1-enoxy]borane
CID 10471604
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane?
The IUPAC name of dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane (CID 101200151) is dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane.
What is the SMILES notation for dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane?
The canonical SMILES for dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane is C=C(OB(C1CCCCC1)C1CCCCC1)c1ccccc1OC.
What is the InChIKey of dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane?
The InChIKey is PQCBLUCTQPGJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31BO2/c1-17(20-15-9-10-16-21(20)23-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,1,3-8,11-14H2,2H3.
What are the key properties of dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane?
dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane has a molecular weight of 326.29 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-methoxyphenyl)ethenoxy]borane is sourced from PubChem (CID 101200151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).