dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane

C18H33B — CID 134903795

IUPACdicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane
SMILESC/C(=C\C(C)C)B(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33B/c1-15(2)14-16(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3/b16-14+
InChIKeyIVRQJCVSFSZULM-JQIJEIRASA-N
MW260.27 g/mol
LogP6.29
Rot. Bonds4

About dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane

dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane (PubChem CID 134903795) has the molecular formula C18H33B and a molecular weight of 260.27 g/mol. Its IUPAC name is dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane.

Molecular Properties

Compound Namedicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane
PubChem CID134903795
Molecular FormulaC18H33B
Molecular Weight260.27 g/mol
Exact Mass260.27
IUPAC Namedicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane
SMILESC/C(=C\C(C)C)B(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33B/c1-15(2)14-16(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3/b16-14+
InChIKeyIVRQJCVSFSZULM-JQIJEIRASA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-cyclohexylsulfanyl-3-methylbut-1-enoxy]-trimethylsilane
CID 15531897
[[bis(dicyclohexylboranyl)amino]-cyclohexylboranyl]cyclohexane
CID 175800188
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
CID 87467219
[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane
CID 135048835
1-chloroethylcyclododecane
CID 66468842
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
acetonitrile;cyclohexyl(diiodo)borane
CID 11417872
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(Z)-4-cyclohexylpent-2-en-1-ol
CID 10773441
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane?
The IUPAC name of dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane (CID 134903795) is dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane.
What is the SMILES notation for dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane?
The canonical SMILES for dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane is C/C(=C\C(C)C)B(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane?
The InChIKey is IVRQJCVSFSZULM-JQIJEIRASA-N. The full InChI is InChI=1S/C18H33B/c1-15(2)14-16(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3/b16-14+.
What are the key properties of dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane?
dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane has a molecular weight of 260.27 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane is sourced from PubChem (CID 134903795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).