cyclohex-2-en-1-yl-bis(2-methylbutyl)borane

C16H31B — CID 135048459

IUPACcyclohex-2-en-1-yl-bis(2-methylbutyl)borane
SMILESCCC(C)CB(CC(C)CC)C1C=CCCC1
InChIInChI=1S/C16H31B/c1-5-14(3)12-17(13-15(4)6-2)16-10-8-7-9-11-16/h8,10,14-16H,5-7,9,11-13H2,1-4H3
InChIKeyTYLAKMMFFJERIN-UHFFFAOYSA-N
MW234.24 g/mol
LogP5.68
Rot. Bonds7

About cyclohex-2-en-1-yl-bis(2-methylbutyl)borane

cyclohex-2-en-1-yl-bis(2-methylbutyl)borane (PubChem CID 135048459) has the molecular formula C16H31B and a molecular weight of 234.24 g/mol. Its IUPAC name is cyclohex-2-en-1-yl-bis(2-methylbutyl)borane.

Molecular Properties

Compound Namecyclohex-2-en-1-yl-bis(2-methylbutyl)borane
PubChem CID135048459
Molecular FormulaC16H31B
Molecular Weight234.24 g/mol
Exact Mass234.25
IUPAC Namecyclohex-2-en-1-yl-bis(2-methylbutyl)borane
SMILESCCC(C)CB(CC(C)CC)C1C=CCCC1
InChIInChI=1S/C16H31B/c1-5-14(3)12-17(13-15(4)6-2)16-10-8-7-9-11-16/h8,10,14-16H,5-7,9,11-13H2,1-4H3
InChIKeyTYLAKMMFFJERIN-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.24
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
N-ethyl-N-propan-2-ylcyclohex-2-en-1-amine
CID 130679433
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
(1Z)-3-ethylcyclooctene
CID 12870206
N-(2-methylbutyl)cyclopentanamine
CID 43200714
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
3-(2-methylpropyl)cycloheptene
CID 54543527
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
CID 142490975
1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
CID 106285917

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl-bis(2-methylbutyl)borane?
The IUPAC name of cyclohex-2-en-1-yl-bis(2-methylbutyl)borane (CID 135048459) is cyclohex-2-en-1-yl-bis(2-methylbutyl)borane.
What is the SMILES notation for cyclohex-2-en-1-yl-bis(2-methylbutyl)borane?
The canonical SMILES for cyclohex-2-en-1-yl-bis(2-methylbutyl)borane is CCC(C)CB(CC(C)CC)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl-bis(2-methylbutyl)borane?
The InChIKey is TYLAKMMFFJERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31B/c1-5-14(3)12-17(13-15(4)6-2)16-10-8-7-9-11-16/h8,10,14-16H,5-7,9,11-13H2,1-4H3.
What are the key properties of cyclohex-2-en-1-yl-bis(2-methylbutyl)borane?
cyclohex-2-en-1-yl-bis(2-methylbutyl)borane has a molecular weight of 234.24 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl-bis(2-methylbutyl)borane is sourced from PubChem (CID 135048459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).