[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane

C36H41P — CID 164669470

IUPAC[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane
SMILESCC(C)CC/C=C(\CCC(C)C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H41P/c1-28(2)16-15-17-30(27-26-29(3)4)33-22-11-12-23-34(33)35-24-13-14-25-36(35)37(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-14,17-25,28-29H,15-16,26-27H2,1-4H3/b30-17+
InChIKeyCSNKIJBFINQCSZ-OCSSWDANSA-N
MW504.70 g/mol
LogP9.37
Rot. Bonds11

About [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane

[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane (PubChem CID 164669470) has the molecular formula C36H41P and a molecular weight of 504.70 g/mol. Its IUPAC name is [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane
PubChem CID164669470
Molecular FormulaC36H41P
Molecular Weight504.70 g/mol
Exact Mass504.29
IUPAC Name[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane
SMILESCC(C)CC/C=C(\CCC(C)C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H41P/c1-28(2)16-15-17-30(27-26-29(3)4)33-22-11-12-23-34(33)35-24-13-14-25-36(35)37(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-14,17-25,28-29H,15-16,26-27H2,1-4H3/b30-17+
InChIKeyCSNKIJBFINQCSZ-OCSSWDANSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.70
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane (CID 164669470) is [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane is CC(C)CC/C=C(\CCC(C)C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane?
The InChIKey is CSNKIJBFINQCSZ-OCSSWDANSA-N. The full InChI is InChI=1S/C36H41P/c1-28(2)16-15-17-30(27-26-29(3)4)33-22-11-12-23-34(33)35-24-13-14-25-36(35)37(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-14,17-25,28-29H,15-16,26-27H2,1-4H3/b30-17+.
What are the key properties of [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane?
[2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane has a molecular weight of 504.70 g/mol, XLogP of 9.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(E)-2,9-dimethyldec-5-en-5-yl]phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 164669470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).