but-3-enyl(5-ethoxypentyl)boranuide

C11H24BO- — CID 159872979

IUPACbut-3-enyl(5-ethoxypentyl)boranuide
SMILESC=CCC[BH2-]CCCCCOCC
InChIInChI=1S/C11H24BO/c1-3-5-9-12-10-7-6-8-11-13-4-2/h3H,1,4-12H2,2H3/q-1
InChIKeyDLWDWQUFIATAIU-UHFFFAOYSA-N
MW183.12 g/mol
LogP2.77
Rot. Bonds10

About but-3-enyl(5-ethoxypentyl)boranuide

but-3-enyl(5-ethoxypentyl)boranuide (PubChem CID 159872979) has the molecular formula C11H24BO- and a molecular weight of 183.12 g/mol. Its IUPAC name is but-3-enyl(5-ethoxypentyl)boranuide.

Molecular Properties

Compound Namebut-3-enyl(5-ethoxypentyl)boranuide
PubChem CID159872979
Molecular FormulaC11H24BO-
Molecular Weight183.12 g/mol
Exact Mass183.19
IUPAC Namebut-3-enyl(5-ethoxypentyl)boranuide
SMILESC=CCC[BH2-]CCCCCOCC
InChIInChI=1S/C11H24BO/c1-3-5-9-12-10-7-6-8-11-13-4-2/h3H,1,4-12H2,2H3/q-1
InChIKeyDLWDWQUFIATAIU-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 52.77
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
4-ethoxybut-1-ene
CID 533994
11-ethoxyundeca-1,3-diene
CID 90984480
12-dodec-11-enoxydodec-1-ene
CID 87325659
15-ethoxypentadec-7-ene
CID 91170991
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(E)-18-ethoxyoctadec-3-ene
CID 6437683
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
8-ethoxyoct-2-ene
CID 91178347
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065

Frequently Asked Questions

What is the IUPAC name of but-3-enyl(5-ethoxypentyl)boranuide?
The IUPAC name of but-3-enyl(5-ethoxypentyl)boranuide (CID 159872979) is but-3-enyl(5-ethoxypentyl)boranuide.
What is the SMILES notation for but-3-enyl(5-ethoxypentyl)boranuide?
The canonical SMILES for but-3-enyl(5-ethoxypentyl)boranuide is C=CCC[BH2-]CCCCCOCC.
What is the InChIKey of but-3-enyl(5-ethoxypentyl)boranuide?
The InChIKey is DLWDWQUFIATAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BO/c1-3-5-9-12-10-7-6-8-11-13-4-2/h3H,1,4-12H2,2H3/q-1.
What are the key properties of but-3-enyl(5-ethoxypentyl)boranuide?
but-3-enyl(5-ethoxypentyl)boranuide has a molecular weight of 183.12 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(5-ethoxypentyl)boranuide is sourced from PubChem (CID 159872979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).