di(butan-2-yloxy)-ethenylborane

C10H21BO2 — CID 151383682

IUPACdi(butan-2-yloxy)-ethenylborane
SMILESC=CB(OC(C)CC)OC(C)CC
InChIInChI=1S/C10H21BO2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h8-10H,3,6-7H2,1-2,4-5H3
InChIKeyOSYOFYAHYZZRQL-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.83
Rot. Bonds7

About di(butan-2-yloxy)-ethenylborane

di(butan-2-yloxy)-ethenylborane (PubChem CID 151383682) has the molecular formula C10H21BO2 and a molecular weight of 184.09 g/mol. Its IUPAC name is di(butan-2-yloxy)-ethenylborane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-ethenylborane
PubChem CID151383682
Molecular FormulaC10H21BO2
Molecular Weight184.09 g/mol
Exact Mass184.16
IUPAC Namedi(butan-2-yloxy)-ethenylborane
SMILESC=CB(OC(C)CC)OC(C)CC
InChIInChI=1S/C10H21BO2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h8-10H,3,6-7H2,1-2,4-5H3
InChIKeyOSYOFYAHYZZRQL-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-ethenylborane?
The IUPAC name of di(butan-2-yloxy)-ethenylborane (CID 151383682) is di(butan-2-yloxy)-ethenylborane.
What is the SMILES notation for di(butan-2-yloxy)-ethenylborane?
The canonical SMILES for di(butan-2-yloxy)-ethenylborane is C=CB(OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-ethenylborane?
The InChIKey is OSYOFYAHYZZRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h8-10H,3,6-7H2,1-2,4-5H3.
What are the key properties of di(butan-2-yloxy)-ethenylborane?
di(butan-2-yloxy)-ethenylborane has a molecular weight of 184.09 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-ethenylborane is sourced from PubChem (CID 151383682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).