but-1-en-2-yloxy(dicyclohexyl)borane

C16H29BO — CID 15130255

IUPACbut-1-en-2-yloxy(dicyclohexyl)borane
SMILESC=C(CC)OB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29BO/c1-3-14(2)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-13H2,1H3
InChIKeyVLFKOMKVPSLECH-UHFFFAOYSA-N
MW248.22 g/mol
LogP5.59
Rot. Bonds5

About but-1-en-2-yloxy(dicyclohexyl)borane

but-1-en-2-yloxy(dicyclohexyl)borane (PubChem CID 15130255) has the molecular formula C16H29BO and a molecular weight of 248.22 g/mol. Its IUPAC name is but-1-en-2-yloxy(dicyclohexyl)borane.

Molecular Properties

Compound Namebut-1-en-2-yloxy(dicyclohexyl)borane
PubChem CID15130255
Molecular FormulaC16H29BO
Molecular Weight248.22 g/mol
Exact Mass248.23
IUPAC Namebut-1-en-2-yloxy(dicyclohexyl)borane
SMILESC=C(CC)OB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29BO/c1-3-14(2)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-13H2,1H3
InChIKeyVLFKOMKVPSLECH-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.22
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

cyclododecyl 2-methylidenebutanoate
CID 57244431
dicyclohexyl-[1-[2,6-di(propan-2-yl)phenoxy]ethenoxy]borane
CID 101200127
N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
2-(1-bromoethenoxy)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 143994926
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(1-cyclohexyl-3-methylidenepentyl)hydrazine
CID 105201935
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
propanoic acid;ruthenium;bis(tricyclohexylphosphane)
CID 10974652
prop-1-en-2-yl 2-cyclohexylacetate
CID 57350090
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yloxy(dicyclohexyl)borane?
The IUPAC name of but-1-en-2-yloxy(dicyclohexyl)borane (CID 15130255) is but-1-en-2-yloxy(dicyclohexyl)borane.
What is the SMILES notation for but-1-en-2-yloxy(dicyclohexyl)borane?
The canonical SMILES for but-1-en-2-yloxy(dicyclohexyl)borane is C=C(CC)OB(C1CCCCC1)C1CCCCC1.
What is the InChIKey of but-1-en-2-yloxy(dicyclohexyl)borane?
The InChIKey is VLFKOMKVPSLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BO/c1-3-14(2)18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-13H2,1H3.
What are the key properties of but-1-en-2-yloxy(dicyclohexyl)borane?
but-1-en-2-yloxy(dicyclohexyl)borane has a molecular weight of 248.22 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yloxy(dicyclohexyl)borane is sourced from PubChem (CID 15130255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).