bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane

C19H37B — CID 24972641

IUPACbis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane
SMILESCCCC/C=C/B(/C=C/CCCC)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H37B/c1-8-10-12-14-16-20(17-15-13-11-9-2)19(6,7)18(3,4)5/h14-17H,8-13H2,1-7H3/b16-14+,17-15+
InChIKeyAARCCQPMYSOAGO-YXLFCKQPSA-N
MW276.32 g/mol
LogP6.88
Rot. Bonds9

About bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane

bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane (PubChem CID 24972641) has the molecular formula C19H37B and a molecular weight of 276.32 g/mol. Its IUPAC name is bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane.

Molecular Properties

Compound Namebis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane
PubChem CID24972641
Molecular FormulaC19H37B
Molecular Weight276.32 g/mol
Exact Mass276.30
IUPAC Namebis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane
SMILESCCCC/C=C/B(/C=C/CCCC)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H37B/c1-8-10-12-14-16-20(17-15-13-11-9-2)19(6,7)18(3,4)5/h14-17H,8-13H2,1-7H3/b16-14+,17-15+
InChIKeyAARCCQPMYSOAGO-YXLFCKQPSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.32
LogP ≤ 56.88
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

dec-5-ene;trihydrobromide
CID 175802238
(E)-1-bromohex-1-ene
CID 5362769
(E)-10,10-dimethylundec-5-ene
CID 142794628
(2E,7E)-dodeca-2,7-diene
CID 173295735
hept-2-ene;methanol
CID 135236025
hept-1-enylboronic acid
CID 2773442
chlorooxy(hex-1-enyl)borinic acid
CID 175319248
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786

Frequently Asked Questions

What is the IUPAC name of bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane?
The IUPAC name of bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane (CID 24972641) is bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane.
What is the SMILES notation for bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane?
The canonical SMILES for bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane is CCCC/C=C/B(/C=C/CCCC)C(C)(C)C(C)(C)C.
What is the InChIKey of bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane?
The InChIKey is AARCCQPMYSOAGO-YXLFCKQPSA-N. The full InChI is InChI=1S/C19H37B/c1-8-10-12-14-16-20(17-15-13-11-9-2)19(6,7)18(3,4)5/h14-17H,8-13H2,1-7H3/b16-14+,17-15+.
What are the key properties of bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane?
bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane has a molecular weight of 276.32 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane is sourced from PubChem (CID 24972641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).