methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane

C13H17P — CID 15104012

IUPACmethyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane
SMILESCC#CP(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H17P/c1-6-7-14(5)13-11(3)8-10(2)9-12(13)4/h8-9H,1-5H3
InChIKeyLJTPBJRFTLMPLA-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.33
Rot. Bonds1

About methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane

methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane (PubChem CID 15104012) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namemethyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane
PubChem CID15104012
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Namemethyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane
SMILESCC#CP(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H17P/c1-6-7-14(5)13-11(3)8-10(2)9-12(13)4/h8-9H,1-5H3
InChIKeyLJTPBJRFTLMPLA-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane (CID 15104012) is methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane is CC#CP(C)c1c(C)cc(C)cc1C.
What is the InChIKey of methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is LJTPBJRFTLMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17P/c1-6-7-14(5)13-11(3)8-10(2)9-12(13)4/h8-9H,1-5H3.
What are the key properties of methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane?
methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 204.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 15104012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).