[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane

C13H27BO — CID 11106617

IUPAC[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane
SMILESCCCC/C=C/B(OC(C)C)[C@H](C)CC
InChIInChI=1S/C13H27BO/c1-6-8-9-10-11-14(13(5)7-2)15-12(3)4/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1
InChIKeyMVJHGBCPICBONM-OCHBPSSRSA-N
MW210.17 g/mol
LogP4.49
Rot. Bonds8

About [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane

[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane (PubChem CID 11106617) has the molecular formula C13H27BO and a molecular weight of 210.17 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane
PubChem CID11106617
Molecular FormulaC13H27BO
Molecular Weight210.17 g/mol
Exact Mass210.22
IUPAC Name[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane
SMILESCCCC/C=C/B(OC(C)C)[C@H](C)CC
InChIInChI=1S/C13H27BO/c1-6-8-9-10-11-14(13(5)7-2)15-12(3)4/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1
InChIKeyMVJHGBCPICBONM-OCHBPSSRSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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

butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
CID 11052896
(E)-3-methylnon-4-ene
CID 13082837
11-methyltrideca-5,7-diene
CID 91357008
chlorooxy(hex-1-enyl)borinic acid
CID 175319248
4-ethyl-2-methyldec-5-ene
CID 123185566
dec-5-ene;trihydrobromide
CID 175802238
(E)-1-bromohex-1-ene
CID 5362769
bis(3-methylbutan-2-yl)-oct-1-enylborane
CID 54380013
butyl-di(propan-2-yloxy)borane
CID 3775344
lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
CID 134903295
(Z)-3-methylheptadec-6-ene
CID 159647190
bis[(E)-hex-1-enyl]-(2,3,3-trimethylbutan-2-yl)borane
CID 24972641

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The IUPAC name of [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane (CID 11106617) is [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane.
What is the SMILES notation for [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The canonical SMILES for [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane is CCCC/C=C/B(OC(C)C)[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane?
The InChIKey is MVJHGBCPICBONM-OCHBPSSRSA-N. The full InChI is InChI=1S/C13H27BO/c1-6-8-9-10-11-14(13(5)7-2)15-12(3)4/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane?
[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane has a molecular weight of 210.17 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane is sourced from PubChem (CID 11106617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).