[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane

C22H43BS — CID 134903837

IUPAC[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C(\SC1CCCCC1)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C22H43BS/c1-8-9-11-16-22(24-21-14-12-10-13-15-21)23(19(6)17(2)3)20(7)18(4)5/h16-21H,8-15H2,1-7H3/b22-16-
InChIKeyUIHNOESBSVGTDZ-JWGURIENSA-N
MW350.47 g/mol
LogP8.25
Rot. Bonds10

About [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane

[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134903837) has the molecular formula C22H43BS and a molecular weight of 350.47 g/mol. Its IUPAC name is [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane
PubChem CID134903837
Molecular FormulaC22H43BS
Molecular Weight350.47 g/mol
Exact Mass350.32
IUPAC Name[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C(\SC1CCCCC1)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C22H43BS/c1-8-9-11-16-22(24-21-14-12-10-13-15-21)23(19(6)17(2)3)20(7)18(4)5/h16-21H,8-15H2,1-7H3/b22-16-
InChIKeyUIHNOESBSVGTDZ-JWGURIENSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane (CID 134903837) is [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane is CCCC/C=C(\SC1CCCCC1)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is UIHNOESBSVGTDZ-JWGURIENSA-N. The full InChI is InChI=1S/C22H43BS/c1-8-9-11-16-22(24-21-14-12-10-13-15-21)23(19(6)17(2)3)20(7)18(4)5/h16-21H,8-15H2,1-7H3/b22-16-.
What are the key properties of [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane?
[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 350.47 g/mol, XLogP of 8.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134903837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).