dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane

C27H38K2O4Si — CID 159779216

IUPACdipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane
SMILESC#Cc1ccc(CCC)cc1.CCCc1ccc(C#C[Si](C)(C)C)cc1.CO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C14H20Si.C11H12.CH2O3.CH4O.2K.H/c1-5-6-13-7-9-14(10-8-13)11-12-15(2,3)4;1-3-5-11-8-6-10(4-2)7-9-11;2-1-4-3;1-2;;;/h7-10H,5-6H2,1-4H3;2,6-9H,3,5H2,1H3;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
InChIKeyDCCHEILTBBMHPB-UHFFFAOYSA-M
MW532.88 g/mol
LogP-1.35
Rot. Bonds5

About dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane

dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane (PubChem CID 159779216) has the molecular formula C27H38K2O4Si and a molecular weight of 532.88 g/mol. Its IUPAC name is dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane.

Molecular Properties

Compound Namedipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane
PubChem CID159779216
Molecular FormulaC27H38K2O4Si
Molecular Weight532.88 g/mol
Exact Mass532.18
IUPAC Namedipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane
SMILESC#Cc1ccc(CCC)cc1.CCCc1ccc(C#C[Si](C)(C)C)cc1.CO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C14H20Si.C11H12.CH2O3.CH4O.2K.H/c1-5-6-13-7-9-14(10-8-13)11-12-15(2,3)4;1-3-5-11-8-6-10(4-2)7-9-11;2-1-4-3;1-2;;;/h7-10H,5-6H2,1-4H3;2,6-9H,3,5H2,1H3;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
InChIKeyDCCHEILTBBMHPB-UHFFFAOYSA-M
XLogP-1.35
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.88
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dipotassium;hydride;methanol;methyl 3-(4-ethynylphenyl)propanoate;methyl 3-[4-(2-trimethylsilylethynyl)phenyl]propanoate;oxido formate
CID 159239477
dipotassium;1-ethynyl-4-phenylmethoxybenzene;ethynyl(trimethyl)silane;hydride;1-iodo-4-phenylmethoxybenzene;methanol;oxido formate;trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
CID 157475703
dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde
CID 161352853
dipotassium;4-bromobenzaldehyde;ethynyl(trimethyl)silane;hydride;oxido formate;4-prop-1-ynylbenzaldehyde;4-(2-trimethylsilylethynyl)benzaldehyde
CID 162188594
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547
2-[(4-ethynylphenyl)methoxy]propane-1,3-diol;2-[(4-iodophenyl)methoxy]propane-1,3-diol;2-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]propane-1,3-diol
CID 158993539
1-ethynyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 86053598
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
S-[[4-(2-trimethylsilylethynyl)phenyl]methyl] ethanethioate
CID 10659177
1,5-bis(4-propylphenyl)penta-1,4-diyn-3-one
CID 164665534
dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 159842003
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
CID 12032946

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane?
The IUPAC name of dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane (CID 159779216) is dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane.
What is the SMILES notation for dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane?
The canonical SMILES for dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane is C#Cc1ccc(CCC)cc1.CCCc1ccc(C#C[Si](C)(C)C)cc1.CO.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane?
The InChIKey is DCCHEILTBBMHPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20Si.C11H12.CH2O3.CH4O.2K.H/c1-5-6-13-7-9-14(10-8-13)11-12-15(2,3)4;1-3-5-11-8-6-10(4-2)7-9-11;2-1-4-3;1-2;;;/h7-10H,5-6H2,1-4H3;2,6-9H,3,5H2,1H3;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane?
dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane has a molecular weight of 532.88 g/mol, XLogP of -1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane is sourced from PubChem (CID 159779216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).