[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane

C12H15P — CID 156800591

IUPAC[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane
SMILESCC(C)(C)C#Cc1cccc(P)c1
InChIInChI=1S/C12H15P/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,13H2,1-3H3
InChIKeyQSOPNFKHOMHLLX-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.58
Rot. Bonds

About [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane

[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane (PubChem CID 156800591) has the molecular formula C12H15P and a molecular weight of 190.23 g/mol. Its IUPAC name is [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane.

Molecular Properties

Compound Name[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane
PubChem CID156800591
Molecular FormulaC12H15P
Molecular Weight190.23 g/mol
Exact Mass190.09
IUPAC Name[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane
SMILESCC(C)(C)C#Cc1cccc(P)c1
InChIInChI=1S/C12H15P/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,13H2,1-3H3
InChIKeyQSOPNFKHOMHLLX-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.58
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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Related Compounds

3-(3,3-dimethylbut-1-ynyl)benzamide
CID 69120535
acetic acid;3-(3,3-dimethylbut-1-ynyl)aniline
CID 69120578
7-(3,3-dimethylbut-1-ynyl)-1-methylnaphthalene
CID 56993968
3,3-dimethylbut-1-ynylbenzene;tungsten
CID 156800823
2-methyl-4-(3-methylphenyl)but-3-yn-2-amine
CID 63997683
[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane
CID 156800692
N-(2-aminophenyl)-3-(3,3-dimethylbut-1-ynyl)benzenesulfonamide
CID 89136186
2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol
CID 14637728
5-(3,3-dimethylbut-1-ynyl)isoindole-1,3-dione
CID 118258854
1,8-bis(3,3-dimethylbut-1-ynyl)naphthalene
CID 169050200
1,3-bis(2-methylsulfanylethynyl)benzene
CID 145028304
9,10-bis(3,3-dimethylbut-1-ynyl)anthracene
CID 102219495

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane?
The IUPAC name of [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane (CID 156800591) is [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane.
What is the SMILES notation for [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane?
The canonical SMILES for [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane is CC(C)(C)C#Cc1cccc(P)c1.
What is the InChIKey of [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane?
The InChIKey is QSOPNFKHOMHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15P/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,13H2,1-3H3.
What are the key properties of [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane?
[3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane has a molecular weight of 190.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbut-1-ynyl)phenyl]phosphane is sourced from PubChem (CID 156800591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).