2,3-dibutyl-4-ethenylborinine

C15H23B — CID 174395436

IUPAC2,3-dibutyl-4-ethenylborinine
SMILESC=Cc1ccbc(CCCC)c1CCCC
InChIInChI=1S/C15H23B/c1-4-7-9-14-13(6-3)11-12-16-15(14)10-8-5-2/h6,11-12H,3-5,7-10H2,1-2H3
InChIKeyPIDKXDNVYOZTRC-UHFFFAOYSA-N
MW214.16 g/mol
LogP4.35
Rot. Bonds7

About 2,3-dibutyl-4-ethenylborinine

2,3-dibutyl-4-ethenylborinine (PubChem CID 174395436) has the molecular formula C15H23B and a molecular weight of 214.16 g/mol. Its IUPAC name is 2,3-dibutyl-4-ethenylborinine.

Molecular Properties

Compound Name2,3-dibutyl-4-ethenylborinine
PubChem CID174395436
Molecular FormulaC15H23B
Molecular Weight214.16 g/mol
Exact Mass214.19
IUPAC Name2,3-dibutyl-4-ethenylborinine
SMILESC=Cc1ccbc(CCCC)c1CCCC
InChIInChI=1S/C15H23B/c1-4-7-9-14-13(6-3)11-12-16-15(14)10-8-5-2/h6,11-12H,3-5,7-10H2,1-2H3
InChIKeyPIDKXDNVYOZTRC-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-ethenylborinine?
The IUPAC name of 2,3-dibutyl-4-ethenylborinine (CID 174395436) is 2,3-dibutyl-4-ethenylborinine.
What is the SMILES notation for 2,3-dibutyl-4-ethenylborinine?
The canonical SMILES for 2,3-dibutyl-4-ethenylborinine is C=Cc1ccbc(CCCC)c1CCCC.
What is the InChIKey of 2,3-dibutyl-4-ethenylborinine?
The InChIKey is PIDKXDNVYOZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23B/c1-4-7-9-14-13(6-3)11-12-16-15(14)10-8-5-2/h6,11-12H,3-5,7-10H2,1-2H3.
What are the key properties of 2,3-dibutyl-4-ethenylborinine?
2,3-dibutyl-4-ethenylborinine has a molecular weight of 214.16 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-ethenylborinine is sourced from PubChem (CID 174395436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).