octa-1,2-dien-3-yl(dipentyl)borane

C18H35B — CID 25098675

IUPACocta-1,2-dien-3-yl(dipentyl)borane
SMILESC=C=C(CCCCC)B(CCCCC)CCCCC
InChIInChI=1S/C18H35B/c1-5-9-12-15-18(8-4)19(16-13-10-6-2)17-14-11-7-3/h4-7,9-17H2,1-3H3
InChIKeyZFIKFFCCQTVNLN-UHFFFAOYSA-N
MW262.29 g/mol
LogP6.69
Rot. Bonds13

About octa-1,2-dien-3-yl(dipentyl)borane

octa-1,2-dien-3-yl(dipentyl)borane (PubChem CID 25098675) has the molecular formula C18H35B and a molecular weight of 262.29 g/mol. Its IUPAC name is octa-1,2-dien-3-yl(dipentyl)borane.

Molecular Properties

Compound Nameocta-1,2-dien-3-yl(dipentyl)borane
PubChem CID25098675
Molecular FormulaC18H35B
Molecular Weight262.29 g/mol
Exact Mass262.28
IUPAC Nameocta-1,2-dien-3-yl(dipentyl)borane
SMILESC=C=C(CCCCC)B(CCCCC)CCCCC
InChIInChI=1S/C18H35B/c1-5-9-12-15-18(8-4)19(16-13-10-6-2)17-14-11-7-3/h4-7,9-17H2,1-3H3
InChIKeyZFIKFFCCQTVNLN-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 56.69
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

dihexyl-[(E)-oct-1-enyl]borane
CID 12885182
di(hexan-3-yl)-[(E)-oct-1-enyl]borane
CID 12885198
Dibutyl(dodeca-5,6-dien-5-yl)borane
CID 86227091
Dihexyl(nona-1,2-dien-3-yl)borane
CID 86230776
Tributyl(octa-1,2-dien-3-yl)stannane
CID 11418130
[(Z)-1-bromohex-1-enyl]-dihexylborane
CID 12437611
1-Bromohex-1-enyl(dihexyl)borane
CID 54427256
Tris(5-methyl-2-methylidenehex-5-enyl)borane
CID 173868230
Methyl-nonadec-1-en-2-yl-propan-2-ylborane
CID 173964111
Dihexyl(oct-1-EN-1-YL)borane
CID 71336105

Frequently Asked Questions

What is the IUPAC name of octa-1,2-dien-3-yl(dipentyl)borane?
The IUPAC name of octa-1,2-dien-3-yl(dipentyl)borane (CID 25098675) is octa-1,2-dien-3-yl(dipentyl)borane.
What is the SMILES notation for octa-1,2-dien-3-yl(dipentyl)borane?
The canonical SMILES for octa-1,2-dien-3-yl(dipentyl)borane is C=C=C(CCCCC)B(CCCCC)CCCCC.
What is the InChIKey of octa-1,2-dien-3-yl(dipentyl)borane?
The InChIKey is ZFIKFFCCQTVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35B/c1-5-9-12-15-18(8-4)19(16-13-10-6-2)17-14-11-7-3/h4-7,9-17H2,1-3H3.
What are the key properties of octa-1,2-dien-3-yl(dipentyl)borane?
octa-1,2-dien-3-yl(dipentyl)borane has a molecular weight of 262.29 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,2-dien-3-yl(dipentyl)borane is sourced from PubChem (CID 25098675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).