cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane

C14H26NOP — CID 90833364

IUPACcyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane
SMILESCC(C)N=P(OC1=CC=CC1)(C(C)C)C(C)C
InChIInChI=1S/C14H26NOP/c1-11(2)15-17(12(3)4,13(5)6)16-14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3
InChIKeyYEDYSMXEWQGYLT-UHFFFAOYSA-N
MW255.34 g/mol
LogP5.19
Rot. Bonds5

About cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane (PubChem CID 90833364) has the molecular formula C14H26NOP and a molecular weight of 255.34 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane
PubChem CID90833364
Molecular FormulaC14H26NOP
Molecular Weight255.34 g/mol
Exact Mass255.18
IUPAC Namecyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane
SMILESCC(C)N=P(OC1=CC=CC1)(C(C)C)C(C)C
InChIInChI=1S/C14H26NOP/c1-11(2)15-17(12(3)4,13(5)6)16-14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3
InChIKeyYEDYSMXEWQGYLT-UHFFFAOYSA-N
XLogP5.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane (CID 90833364) is cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane is CC(C)N=P(OC1=CC=CC1)(C(C)C)C(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane?
The InChIKey is YEDYSMXEWQGYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NOP/c1-11(2)15-17(12(3)4,13(5)6)16-14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane has a molecular weight of 255.34 g/mol, XLogP of 5.19, 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-di(propan-2-yl)-propan-2-ylimino-λ5-phosphane is sourced from PubChem (CID 90833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).