[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane

C12H19P — CID 170116946

IUPAC[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane
SMILESCc1cc(P)ccc1CC(C)(C)C
InChIInChI=1S/C12H19P/c1-9-7-11(13)6-5-10(9)8-12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyJTVCOXZNTLGBRO-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.08
Rot. Bonds1

About [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane

[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane (PubChem CID 170116946) has the molecular formula C12H19P and a molecular weight of 194.26 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane
PubChem CID170116946
Molecular FormulaC12H19P
Molecular Weight194.26 g/mol
Exact Mass194.12
IUPAC Name[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane
SMILESCc1cc(P)ccc1CC(C)(C)C
InChIInChI=1S/C12H19P/c1-9-7-11(13)6-5-10(9)8-12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyJTVCOXZNTLGBRO-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.08
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 [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane?
The IUPAC name of [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane (CID 170116946) is [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane.
What is the SMILES notation for [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane?
The canonical SMILES for [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane is Cc1cc(P)ccc1CC(C)(C)C.
What is the InChIKey of [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane?
The InChIKey is JTVCOXZNTLGBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19P/c1-9-7-11(13)6-5-10(9)8-12(2,3)4/h5-7H,8,13H2,1-4H3.
What are the key properties of [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane?
[4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane has a molecular weight of 194.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)-3-methylphenyl]phosphane is sourced from PubChem (CID 170116946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).