ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

C19H36P2 — CID 70795773

IUPACditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCCP(CC)C1=C([C@@H](C)P(C(C)(C)C)C(C)(C)C)CC=C1
InChIInChI=1S/C19H36P2/c1-10-20(11-2)17-14-12-13-16(17)15(3)21(18(4,5)6)19(7,8)9/h12,14-15H,10-11,13H2,1-9H3/t15-/m1/s1
InChIKeyNQWXUVGREHGGTD-OAHLLOKOSA-N
MW326.45 g/mol
LogP7.19
Rot. Bonds5

About ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (PubChem CID 70795773) has the molecular formula C19H36P2 and a molecular weight of 326.45 g/mol. Its IUPAC name is ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
PubChem CID70795773
Molecular FormulaC19H36P2
Molecular Weight326.45 g/mol
Exact Mass326.23
IUPAC Nameditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCCP(CC)C1=C([C@@H](C)P(C(C)(C)C)C(C)(C)C)CC=C1
InChIInChI=1S/C19H36P2/c1-10-20(11-2)17-14-12-13-16(17)15(3)21(18(4,5)6)19(7,8)9/h12,14-15H,10-11,13H2,1-9H3/t15-/m1/s1
InChIKeyNQWXUVGREHGGTD-OAHLLOKOSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.45
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]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-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The IUPAC name of ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (CID 70795773) is ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The canonical SMILES for ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is CCP(CC)C1=C([C@@H](C)P(C(C)(C)C)C(C)(C)C)CC=C1.
What is the InChIKey of ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The InChIKey is NQWXUVGREHGGTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H36P2/c1-10-20(11-2)17-14-12-13-16(17)15(3)21(18(4,5)6)19(7,8)9/h12,14-15H,10-11,13H2,1-9H3/t15-/m1/s1.
What are the key properties of ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane has a molecular weight of 326.45 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(1R)-1-(2-diethylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 70795773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).