dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane

C17H32NOP — CID 90998909

IUPACdibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCCCCN=P(CCCC)(CCCC)OC1=CC=CC1
InChIInChI=1S/C17H32NOP/c1-4-7-14-18-20(15-8-5-2,16-9-6-3)19-17-12-10-11-13-17/h10-12H,4-9,13-16H2,1-3H3
InChIKeyZLPICNZFPAZZJE-UHFFFAOYSA-N
MW297.42 g/mol
LogP6.36
Rot. Bonds11

About dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane

dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (PubChem CID 90998909) has the molecular formula C17H32NOP and a molecular weight of 297.42 g/mol. Its IUPAC name is dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.

Molecular Properties

Compound Namedibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
PubChem CID90998909
Molecular FormulaC17H32NOP
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Namedibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCCCCN=P(CCCC)(CCCC)OC1=CC=CC1
InChIInChI=1S/C17H32NOP/c1-4-7-14-18-20(15-8-5-2,16-9-6-3)19-17-12-10-11-13-17/h10-12H,4-9,13-16H2,1-3H3
InChIKeyZLPICNZFPAZZJE-UHFFFAOYSA-N
XLogP6.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The IUPAC name of dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (CID 90998909) is dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.
What is the SMILES notation for dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The canonical SMILES for dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is CCCCN=P(CCCC)(CCCC)OC1=CC=CC1.
What is the InChIKey of dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The InChIKey is ZLPICNZFPAZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NOP/c1-4-7-14-18-20(15-8-5-2,16-9-6-3)19-17-12-10-11-13-17/h10-12H,4-9,13-16H2,1-3H3.
What are the key properties of dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane has a molecular weight of 297.42 g/mol, XLogP of 6.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is sourced from PubChem (CID 90998909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).