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

C17H32NOP — CID 90720757

IUPACdi(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCCC(C)N=P(OC1=CC=CC1)(C(C)CC)C(C)CC
InChIInChI=1S/C17H32NOP/c1-7-14(4)18-20(15(5)8-2,16(6)9-3)19-17-12-10-11-13-17/h10-12,14-16H,7-9,13H2,1-6H3
InChIKeyPOGLVMIBQWYXRL-UHFFFAOYSA-N
MW297.42 g/mol
LogP6.36
Rot. Bonds8

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

di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (PubChem CID 90720757) has the molecular formula C17H32NOP and a molecular weight of 297.42 g/mol. Its IUPAC name is di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.

Molecular Properties

Compound Namedi(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
PubChem CID90720757
Molecular FormulaC17H32NOP
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Namedi(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
SMILESCCC(C)N=P(OC1=CC=CC1)(C(C)CC)C(C)CC
InChIInChI=1S/C17H32NOP/c1-7-14(4)18-20(15(5)8-2,16(6)9-3)19-17-12-10-11-13-17/h10-12,14-16H,7-9,13H2,1-6H3
InChIKeyPOGLVMIBQWYXRL-UHFFFAOYSA-N
XLogP6.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 di(butan-2-yl)-butan-2-ylimino-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 di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The IUPAC name of di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane (CID 90720757) is di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane.
What is the SMILES notation for di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The canonical SMILES for di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is CCC(C)N=P(OC1=CC=CC1)(C(C)CC)C(C)CC.
What is the InChIKey of di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
The InChIKey is POGLVMIBQWYXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NOP/c1-7-14(4)18-20(15(5)8-2,16(6)9-3)19-17-12-10-11-13-17/h10-12,14-16H,7-9,13H2,1-6H3.
What are the key properties of di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane?
di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane has a molecular weight of 297.42 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-butan-2-ylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane is sourced from PubChem (CID 90720757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).