ditert-butyl(1-phenylprop-1-en-2-yl)phosphane

C17H27P — CID 140620525

IUPACditert-butyl(1-phenylprop-1-en-2-yl)phosphane
SMILESCC(=Cc1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H27P/c1-14(13-15-11-9-8-10-12-15)18(16(2,3)4)17(5,6)7/h8-13H,1-7H3
InChIKeyQKXRFDTYBOTITK-UHFFFAOYSA-N
MW262.38 g/mol
LogP6.13
Rot. Bonds2

About ditert-butyl(1-phenylprop-1-en-2-yl)phosphane

ditert-butyl(1-phenylprop-1-en-2-yl)phosphane (PubChem CID 140620525) has the molecular formula C17H27P and a molecular weight of 262.38 g/mol. Its IUPAC name is ditert-butyl(1-phenylprop-1-en-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl(1-phenylprop-1-en-2-yl)phosphane
PubChem CID140620525
Molecular FormulaC17H27P
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Nameditert-butyl(1-phenylprop-1-en-2-yl)phosphane
SMILESCC(=Cc1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H27P/c1-14(13-15-11-9-8-10-12-15)18(16(2,3)4)17(5,6)7/h8-13H,1-7H3
InChIKeyQKXRFDTYBOTITK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620468
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
CID 14906848
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
CID 158893844
CID 158893844
[(E)-2-[[(E)-1-phenylprop-1-en-2-yl]ditellanyl]prop-1-enyl]benzene
CID 134881508
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
CID 150998431
(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
N-(1-phenylprop-1-en-2-yl)hydroxylamine
CID 174837746
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(1-phenylprop-1-en-2-yl)phosphane?
The IUPAC name of ditert-butyl(1-phenylprop-1-en-2-yl)phosphane (CID 140620525) is ditert-butyl(1-phenylprop-1-en-2-yl)phosphane.
What is the SMILES notation for ditert-butyl(1-phenylprop-1-en-2-yl)phosphane?
The canonical SMILES for ditert-butyl(1-phenylprop-1-en-2-yl)phosphane is CC(=Cc1ccccc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(1-phenylprop-1-en-2-yl)phosphane?
The InChIKey is QKXRFDTYBOTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27P/c1-14(13-15-11-9-8-10-12-15)18(16(2,3)4)17(5,6)7/h8-13H,1-7H3.
What are the key properties of ditert-butyl(1-phenylprop-1-en-2-yl)phosphane?
ditert-butyl(1-phenylprop-1-en-2-yl)phosphane has a molecular weight of 262.38 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(1-phenylprop-1-en-2-yl)phosphane is sourced from PubChem (CID 140620525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).