butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane

C13H27BO — CID 11052896

IUPACbutyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
SMILESCCCC/C=C/B(CCCC)OC(C)C
InChIInChI=1S/C13H27BO/c1-5-7-9-10-12-14(11-8-6-2)15-13(3)4/h10,12-13H,5-9,11H2,1-4H3/b12-10+
InChIKeyBAZLQUOIRLMJKG-ZRDIBKRKSA-N
MW210.17 g/mol
LogP4.49
Rot. Bonds9

About butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane

butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane (PubChem CID 11052896) has the molecular formula C13H27BO and a molecular weight of 210.17 g/mol. Its IUPAC name is butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane.

Molecular Properties

Compound Namebutyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
PubChem CID11052896
Molecular FormulaC13H27BO
Molecular Weight210.17 g/mol
Exact Mass210.22
IUPAC Namebutyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
SMILESCCCC/C=C/B(CCCC)OC(C)C
InChIInChI=1S/C13H27BO/c1-5-7-9-10-12-14(11-8-6-2)15-13(3)4/h10,12-13H,5-9,11H2,1-4H3/b12-10+
InChIKeyBAZLQUOIRLMJKG-ZRDIBKRKSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane
CID 11106617
butyl-ethoxy-propan-2-yloxyborane
CID 20654637
chlorooxy(hex-1-enyl)borinic acid
CID 175319248
hexyl-di(propan-2-yloxy)borane
CID 13183257
dec-5-ene;trihydrobromide
CID 175802238
bis(3-methylbutan-2-yl)-oct-1-enylborane
CID 54380013
bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane
CID 24972641
hept-1-enylboronic acid
CID 2773442
(E)-3-methylnon-4-ene
CID 13082837
(Z)-2-methyloct-3-ene;octane
CID 159051061
(Z)-11-methyldodec-5-ene
CID 159147265
pentadeca-4,10-diene
CID 54306056

Frequently Asked Questions

What is the IUPAC name of butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The IUPAC name of butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane (CID 11052896) is butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane.
What is the SMILES notation for butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The canonical SMILES for butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane is CCCC/C=C/B(CCCC)OC(C)C.
What is the InChIKey of butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The InChIKey is BAZLQUOIRLMJKG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H27BO/c1-5-7-9-10-12-14(11-8-6-2)15-13(3)4/h10,12-13H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane?
butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane has a molecular weight of 210.17 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane is sourced from PubChem (CID 11052896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).