tris[(Z)-hept-3-en-4-yl]borane

C21H39B — CID 135048838

IUPACtris[(Z)-hept-3-en-4-yl]borane
SMILESCC/C=C(\CCC)B(/C(=C/CC)CCC)/C(=C/CC)CCC
InChIInChI=1S/C21H39B/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h13,15,17H,7-12,14,16,18H2,1-6H3/b19-13+,20-15+,21-17+
InChIKeyVMCZDNQWVIUBGV-JYQWTDEISA-N
MW302.36 g/mol
LogP7.51
Rot. Bonds12

About tris[(Z)-hept-3-en-4-yl]borane

tris[(Z)-hept-3-en-4-yl]borane (PubChem CID 135048838) has the molecular formula C21H39B and a molecular weight of 302.36 g/mol. Its IUPAC name is tris[(Z)-hept-3-en-4-yl]borane.

Molecular Properties

Compound Nametris[(Z)-hept-3-en-4-yl]borane
PubChem CID135048838
Molecular FormulaC21H39B
Molecular Weight302.36 g/mol
Exact Mass302.31
IUPAC Nametris[(Z)-hept-3-en-4-yl]borane
SMILESCC/C=C(\CCC)B(/C(=C/CC)CCC)/C(=C/CC)CCC
InChIInChI=1S/C21H39B/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h13,15,17H,7-12,14,16,18H2,1-6H3/b19-13+,20-15+,21-17+
InChIKeyVMCZDNQWVIUBGV-JYQWTDEISA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 57.51
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

(6Z,9Z,12Z,15Z,18Z)-1,6,9,12,15,18-Henicosahexaene
CID 11460308
3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
CID 52922084
3,6,9,12,15,18-Heneicosahexaene
CID 6442734
1,6,9,12,15,18-Heneicosahexaene
CID 72970257
cis-3,6,9,12,15,18-Heneicosahexaene
CID 58579149
Henicosa-3,6,9,12,15,18-hexaene
CID 182861
diethyl-[(E)-hex-4-en-3-yl]borane
CID 19096480
3,6,9,12,15-Nonadecapentaene
CID 20470127
5,8,11,14,17-Eicosapentaen
CID 53966595
4,8,12,16-Eicosatetraen
CID 54472715
2,6,10,14,18,22-Tetracosahexaene
CID 57417215
(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene
CID 59965223

Frequently Asked Questions

What is the IUPAC name of tris[(Z)-hept-3-en-4-yl]borane?
The IUPAC name of tris[(Z)-hept-3-en-4-yl]borane (CID 135048838) is tris[(Z)-hept-3-en-4-yl]borane.
What is the SMILES notation for tris[(Z)-hept-3-en-4-yl]borane?
The canonical SMILES for tris[(Z)-hept-3-en-4-yl]borane is CC/C=C(\CCC)B(/C(=C/CC)CCC)/C(=C/CC)CCC.
What is the InChIKey of tris[(Z)-hept-3-en-4-yl]borane?
The InChIKey is VMCZDNQWVIUBGV-JYQWTDEISA-N. The full InChI is InChI=1S/C21H39B/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h13,15,17H,7-12,14,16,18H2,1-6H3/b19-13+,20-15+,21-17+.
What are the key properties of tris[(Z)-hept-3-en-4-yl]borane?
tris[(Z)-hept-3-en-4-yl]borane has a molecular weight of 302.36 g/mol, XLogP of 7.51, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(Z)-hept-3-en-4-yl]borane is sourced from PubChem (CID 135048838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).