lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide

C18H38BLi — CID 134903295

IUPAClithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
SMILESCCCC/C=C/[B-](C(C)CC)(C(C)CC)C(C)CC.[Li+]
InChIInChI=1S/C18H38B.Li/c1-8-12-13-14-15-19(16(5)9-2,17(6)10-3)18(7)11-4;/h14-18H,8-13H2,1-7H3;/q-1;+1/b15-14+;
InChIKeyOBVGRIJQHKPNAZ-WPDLWGESSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds10

About lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide

lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide (PubChem CID 134903295) has the molecular formula C18H38BLi and a molecular weight of 272.25 g/mol. Its IUPAC name is lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide.

Molecular Properties

Compound Namelithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
PubChem CID134903295
Molecular FormulaC18H38BLi
Molecular Weight272.25 g/mol
Exact Mass272.32
IUPAC Namelithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
SMILESCCCC/C=C/[B-](C(C)CC)(C(C)CC)C(C)CC.[Li+]
InChIInChI=1S/C18H38B.Li/c1-8-12-13-14-15-19(16(5)9-2,17(6)10-3)18(7)11-4;/h14-18H,8-13H2,1-7H3;/q-1;+1/b15-14+;
InChIKeyOBVGRIJQHKPNAZ-WPDLWGESSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.13
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

(E)-3-methylnon-4-ene
CID 13082837
dec-5-ene;trihydrobromide
CID 175802238
11-methyltrideca-5,7-diene
CID 91357008
(Z)-11-methyldodec-5-ene
CID 159147265
(Z)-2-methyloct-3-ene;octane
CID 159051061
chloro-[(E)-hex-1-enyl]-dimethylsilane
CID 11008469
4-ethyl-2-methyldec-5-ene
CID 123185566
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218

Frequently Asked Questions

What is the IUPAC name of lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide?
The IUPAC name of lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide (CID 134903295) is lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide.
What is the SMILES notation for lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide?
The canonical SMILES for lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide is CCCC/C=C/[B-](C(C)CC)(C(C)CC)C(C)CC.[Li+].
What is the InChIKey of lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide?
The InChIKey is OBVGRIJQHKPNAZ-WPDLWGESSA-N. The full InChI is InChI=1S/C18H38B.Li/c1-8-12-13-14-15-19(16(5)9-2,17(6)10-3)18(7)11-4;/h14-18H,8-13H2,1-7H3;/q-1;+1/b15-14+;.
What are the key properties of lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide?
lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide has a molecular weight of 272.25 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide is sourced from PubChem (CID 134903295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).