cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane

C11H20NOP — CID 90744162

IUPACcyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane
SMILESCCN=P(CC)(CC)OC1=CC=CC1
InChIInChI=1S/C11H20NOP/c1-4-12-14(5-2,6-3)13-11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3
InChIKeyKPYXFTQIWPDWMD-UHFFFAOYSA-N
MW213.26 g/mol
LogP4.02
Rot. Bonds5

About cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane (PubChem CID 90744162) has the molecular formula C11H20NOP and a molecular weight of 213.26 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane
PubChem CID90744162
Molecular FormulaC11H20NOP
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Namecyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane
SMILESCCN=P(CC)(CC)OC1=CC=CC1
InChIInChI=1S/C11H20NOP/c1-4-12-14(5-2,6-3)13-11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3
InChIKeyKPYXFTQIWPDWMD-UHFFFAOYSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 54.02
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-diethyl-ethylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane (CID 90744162) is cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane is CCN=P(CC)(CC)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane?
The InChIKey is KPYXFTQIWPDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NOP/c1-4-12-14(5-2,6-3)13-11-9-7-8-10-11/h7-9H,4-6,10H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-diethyl-ethylimino-λ5-phosphane has a molecular weight of 213.26 g/mol, XLogP of 4.02, 5 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-diethyl-ethylimino-λ5-phosphane is sourced from PubChem (CID 90744162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).