cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane

C14H26NOP — CID 90757655

IUPACcyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane
SMILESCCCN=P(CCC)(CCC)OC1=CC=CC1
InChIInChI=1S/C14H26NOP/c1-4-11-15-17(12-5-2,13-6-3)16-14-9-7-8-10-14/h7-9H,4-6,10-13H2,1-3H3
InChIKeyISEMLBIJUNGANL-UHFFFAOYSA-N
MW255.34 g/mol
LogP5.19
Rot. Bonds8

About cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane (PubChem CID 90757655) has the molecular formula C14H26NOP and a molecular weight of 255.34 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane
PubChem CID90757655
Molecular FormulaC14H26NOP
Molecular Weight255.34 g/mol
Exact Mass255.18
IUPAC Namecyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane
SMILESCCCN=P(CCC)(CCC)OC1=CC=CC1
InChIInChI=1S/C14H26NOP/c1-4-11-15-17(12-5-2,13-6-3)16-14-9-7-8-10-14/h7-9H,4-6,10-13H2,1-3H3
InChIKeyISEMLBIJUNGANL-UHFFFAOYSA-N
XLogP5.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane (CID 90757655) is cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane is CCCN=P(CCC)(CCC)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane?
The InChIKey is ISEMLBIJUNGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NOP/c1-4-11-15-17(12-5-2,13-6-3)16-14-9-7-8-10-14/h7-9H,4-6,10-13H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane has a molecular weight of 255.34 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yloxy-dipropyl-propylimino-λ5-phosphane is sourced from PubChem (CID 90757655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).