2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene

C16H25OP — CID 154205626

IUPAC2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
SMILESCC(C)CP(=O)(C=Cc1ccccc1)CC(C)C
InChIInChI=1S/C16H25OP/c1-14(2)12-18(17,13-15(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyCIIZSVLJUHEIJA-UHFFFAOYSA-N
MW264.35 g/mol
LogP5.33
Rot. Bonds6

About 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene

2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene (PubChem CID 154205626) has the molecular formula C16H25OP and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
PubChem CID154205626
Molecular FormulaC16H25OP
Molecular Weight264.35 g/mol
Exact Mass264.16
IUPAC Name2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
SMILESCC(C)CP(=O)(C=Cc1ccccc1)CC(C)C
InChIInChI=1S/C16H25OP/c1-14(2)12-18(17,13-15(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyCIIZSVLJUHEIJA-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.35
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
CID 118537099
2-phenylethenyl(propyl)phosphinic acid
CID 67363439
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
4-chloropent-1-enylbenzene
CID 66808272

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene?
The IUPAC name of 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene (CID 154205626) is 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene.
What is the SMILES notation for 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene?
The canonical SMILES for 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene is CC(C)CP(=O)(C=Cc1ccccc1)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene?
The InChIKey is CIIZSVLJUHEIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25OP/c1-14(2)12-18(17,13-15(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene?
2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene has a molecular weight of 264.35 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene is sourced from PubChem (CID 154205626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).