ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane

C17H32NOP — CID 56984841

IUPACditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCC(C)(C)N=P(OC1=CC=CC1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H32NOP/c1-15(2,3)18-20(16(4,5)6,17(7,8)9)19-14-12-10-11-13-14/h10-12H,13H2,1-9H3
InChIKeyKWCHQEXLABLLLV-UHFFFAOYSA-N
MW297.42 g/mol
LogP6.36
Rot. Bonds2

About ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane

ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (PubChem CID 56984841) has the molecular formula C17H32NOP and a molecular weight of 297.42 g/mol. Its IUPAC name is ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
PubChem CID56984841
Molecular FormulaC17H32NOP
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Nameditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCC(C)(C)N=P(OC1=CC=CC1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H32NOP/c1-15(2,3)18-20(16(4,5)6,17(7,8)9)19-14-12-10-11-13-14/h10-12H,13H2,1-9H3
InChIKeyKWCHQEXLABLLLV-UHFFFAOYSA-N
XLogP6.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'phosphor', 'substructure': 'N/A'}

Analyze ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The IUPAC name of ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (CID 56984841) is ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.
What is the SMILES notation for ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The canonical SMILES for ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is CC(C)(C)N=P(OC1=CC=CC1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The InChIKey is KWCHQEXLABLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NOP/c1-15(2,3)18-20(16(4,5)6,17(7,8)9)19-14-12-10-11-13-14/h10-12H,13H2,1-9H3.
What are the key properties of ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane has a molecular weight of 297.42 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-tert-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is sourced from PubChem (CID 56984841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).