hexyl-di(propan-2-yloxy)borane

C12H27BO2 — CID 13183257

IUPAChexyl-di(propan-2-yloxy)borane
SMILESCCCCCCB(OC(C)C)OC(C)C
InChIInChI=1S/C12H27BO2/c1-6-7-8-9-10-13(14-11(2)3)15-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyDURGOUQTHFQAJQ-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.90
Rot. Bonds9

About hexyl-di(propan-2-yloxy)borane

hexyl-di(propan-2-yloxy)borane (PubChem CID 13183257) has the molecular formula C12H27BO2 and a molecular weight of 214.16 g/mol. Its IUPAC name is hexyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namehexyl-di(propan-2-yloxy)borane
PubChem CID13183257
Molecular FormulaC12H27BO2
Molecular Weight214.16 g/mol
Exact Mass214.21
IUPAC Namehexyl-di(propan-2-yloxy)borane
SMILESCCCCCCB(OC(C)C)OC(C)C
InChIInChI=1S/C12H27BO2/c1-6-7-8-9-10-13(14-11(2)3)15-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyDURGOUQTHFQAJQ-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-di(propan-2-yloxy)borane
CID 3775344
butyl-ethoxy-propan-2-yloxyborane
CID 20654637
decane;ruthenium
CID 160818595
tri(nonyl)borane
CID 12793706
decyl-bis(3-methylbutan-2-yl)borane
CID 12567887
ethane;heptane;2-methylpropane
CID 167499531
heptyl(dimethyl)borane
CID 123843147
hexoxy-hexyl-methylborane
CID 102060099
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
hexan-2-yl-di(propan-2-yloxy)borane
CID 57174068
bis[(2R)-octan-2-yl] [(2S)-octan-2-yl] borate
CID 99771040
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of hexyl-di(propan-2-yloxy)borane?
The IUPAC name of hexyl-di(propan-2-yloxy)borane (CID 13183257) is hexyl-di(propan-2-yloxy)borane.
What is the SMILES notation for hexyl-di(propan-2-yloxy)borane?
The canonical SMILES for hexyl-di(propan-2-yloxy)borane is CCCCCCB(OC(C)C)OC(C)C.
What is the InChIKey of hexyl-di(propan-2-yloxy)borane?
The InChIKey is DURGOUQTHFQAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2/c1-6-7-8-9-10-13(14-11(2)3)15-12(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of hexyl-di(propan-2-yloxy)borane?
hexyl-di(propan-2-yloxy)borane has a molecular weight of 214.16 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 13183257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).