bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane

C18H37B — CID 134903879

IUPACbis(3-methylbutan-2-yl)-oct-1-en-2-ylborane
SMILESC=C(CCCCCC)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h14-15,17-18H,6,9-13H2,1-5,7-8H3
InChIKeyWMJXNDHHXAUTMQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP6.64
Rot. Bonds10

About bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane

bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane (PubChem CID 134903879) has the molecular formula C18H37B and a molecular weight of 264.31 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-oct-1-en-2-ylborane
PubChem CID134903879
Molecular FormulaC18H37B
Molecular Weight264.31 g/mol
Exact Mass264.30
IUPAC Namebis(3-methylbutan-2-yl)-oct-1-en-2-ylborane
SMILESC=C(CCCCCC)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h14-15,17-18H,6,9-13H2,1-5,7-8H3
InChIKeyWMJXNDHHXAUTMQ-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.31
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyloct-1-ene
CID 143077596
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;heptane;2-methylpropane
CID 167499531
ethane;2-methylhept-1-ene
CID 143682307
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375
N-propan-2-yldec-1-en-2-amine
CID 166755614
2-methyl-5-methylideneundecane
CID 54320712

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane?
The IUPAC name of bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane (CID 134903879) is bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane?
The canonical SMILES for bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane is C=C(CCCCCC)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane?
The InChIKey is WMJXNDHHXAUTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h14-15,17-18H,6,9-13H2,1-5,7-8H3.
What are the key properties of bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane?
bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane has a molecular weight of 264.31 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane is sourced from PubChem (CID 134903879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).