[(E)-dec-7-enyl]-dimethylborane

C12H25B — CID 22172098

IUPAC[(E)-dec-7-enyl]-dimethylborane
SMILESCC/C=C/CCCCCCB(C)C
InChIInChI=1S/C12H25B/c1-4-5-6-7-8-9-10-11-12-13(2)3/h5-6H,4,7-12H2,1-3H3/b6-5+
InChIKeyXEUANKSJOUMMCO-AATRIKPKSA-N
MW180.14 g/mol
LogP4.66
Rot. Bonds8

About [(E)-dec-7-enyl]-dimethylborane

[(E)-dec-7-enyl]-dimethylborane (PubChem CID 22172098) has the molecular formula C12H25B and a molecular weight of 180.14 g/mol. Its IUPAC name is [(E)-dec-7-enyl]-dimethylborane.

Molecular Properties

Compound Name[(E)-dec-7-enyl]-dimethylborane
PubChem CID22172098
Molecular FormulaC12H25B
Molecular Weight180.14 g/mol
Exact Mass180.20
IUPAC Name[(E)-dec-7-enyl]-dimethylborane
SMILESCC/C=C/CCCCCCB(C)C
InChIInChI=1S/C12H25B/c1-4-5-6-7-8-9-10-11-12-13(2)3/h5-6H,4,7-12H2,1-3H3/b6-5+
InChIKeyXEUANKSJOUMMCO-AATRIKPKSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 54.66
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,16E)-nonadeca-3,16-diene
CID 157471321
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
hexadeca-1,5,13-triene
CID 174048718
(E)-non-3-ene
CID 5364445
tridec-10-en-1-ol
CID 53427401
trideca-1,10-diene
CID 54351837

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-7-enyl]-dimethylborane?
The IUPAC name of [(E)-dec-7-enyl]-dimethylborane (CID 22172098) is [(E)-dec-7-enyl]-dimethylborane.
What is the SMILES notation for [(E)-dec-7-enyl]-dimethylborane?
The canonical SMILES for [(E)-dec-7-enyl]-dimethylborane is CC/C=C/CCCCCCB(C)C.
What is the InChIKey of [(E)-dec-7-enyl]-dimethylborane?
The InChIKey is XEUANKSJOUMMCO-AATRIKPKSA-N. The full InChI is InChI=1S/C12H25B/c1-4-5-6-7-8-9-10-11-12-13(2)3/h5-6H,4,7-12H2,1-3H3/b6-5+.
What are the key properties of [(E)-dec-7-enyl]-dimethylborane?
[(E)-dec-7-enyl]-dimethylborane has a molecular weight of 180.14 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-7-enyl]-dimethylborane is sourced from PubChem (CID 22172098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).