lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne

C35H63BrCl2LiNaO4Pt — CID 159999269

IUPAClithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne
SMILESC.C.C.C=CCBr.C=CCC(O)C#CC.C=CCOCC#CC.CC#CCO.CC12CC(=O)CC1C2.Cl[Pt]Cl.[CH2-]CCC.[H-].[Li+].[Na+]
InChIInChI=1S/3C7H10O.C4H6O.C4H9.C3H5Br.3CH4.2ClH.Li.Na.Pt.H/c1-7-3-5(7)2-6(8)4-7;1-3-5-7-8-6-4-2;1-3-5-7(8)6-4-2;1-2-3-4-5;1-3-4-2;1-2-3-4;;;;;;;;;/h5H,2-4H2,1H3;4H,2,6-7H2,1H3;3,7-8H,1,5H2,2H3;5H,4H2,1H3;1,3-4H2,2H3;2H,1,3H2;3*1H4;2*1H;;;;/q;;;;-1;;;;;;;2*+1;+2;-1/p-2
InChIKeyZUNLSVGCDQKMBP-UHFFFAOYSA-L
MW923.70 g/mol
LogP4.13
Rot. Bonds7

About lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne

lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne (PubChem CID 159999269) has the molecular formula C35H63BrCl2LiNaO4Pt and a molecular weight of 923.70 g/mol. Its IUPAC name is lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne.

Molecular Properties

Compound Namelithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne
PubChem CID159999269
Molecular FormulaC35H63BrCl2LiNaO4Pt
Molecular Weight923.70 g/mol
Exact Mass921.30
IUPAC Namelithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne
SMILESC.C.C.C=CCBr.C=CCC(O)C#CC.C=CCOCC#CC.CC#CCO.CC12CC(=O)CC1C2.Cl[Pt]Cl.[CH2-]CCC.[H-].[Li+].[Na+]
InChIInChI=1S/3C7H10O.C4H6O.C4H9.C3H5Br.3CH4.2ClH.Li.Na.Pt.H/c1-7-3-5(7)2-6(8)4-7;1-3-5-7-8-6-4-2;1-3-5-7(8)6-4-2;1-2-3-4-5;1-3-4-2;1-2-3-4;;;;;;;;;/h5H,2-4H2,1H3;4H,2,6-7H2,1H3;3,7-8H,1,5H2,2H3;5H,4H2,1H3;1,3-4H2,2H3;2H,1,3H2;3*1H4;2*1H;;;;/q;;;;-1;;;;;;;2*+1;+2;-1/p-2
InChIKeyZUNLSVGCDQKMBP-UHFFFAOYSA-L
XLogP4.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500923.70
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-methylbicyclo[3.1.0]hexan-3-one
CID 161056002
4-methyl-1-prop-2-enoxypent-2-yne
CID 57470526
1-bromo-4-prop-2-enoxybut-2-yne
CID 10511841
3-hydroxyhex-4-ynal
CID 91461198
3,3-dimethyl-5-prop-2-enylcyclohexan-1-one
CID 130030499
sodium;dodecane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 174547784
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 11086779
tert-butyl (4S)-4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59344945
tert-butyl 4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66894405
2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 12073586
1-methyl-3-methylidenebicyclo[3.1.0]hexane
CID 90931570
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne?
The IUPAC name of lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne (CID 159999269) is lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne.
What is the SMILES notation for lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne?
The canonical SMILES for lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne is C.C.C.C=CCBr.C=CCC(O)C#CC.C=CCOCC#CC.CC#CCO.CC12CC(=O)CC1C2.Cl[Pt]Cl.[CH2-]CCC.[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne?
The InChIKey is ZUNLSVGCDQKMBP-UHFFFAOYSA-L. The full InChI is InChI=1S/3C7H10O.C4H6O.C4H9.C3H5Br.3CH4.2ClH.Li.Na.Pt.H/c1-7-3-5(7)2-6(8)4-7;1-3-5-7-8-6-4-2;1-3-5-7(8)6-4-2;1-2-3-4-5;1-3-4-2;1-2-3-4;;;;;;;;;/h5H,2-4H2,1H3;4H,2,6-7H2,1H3;3,7-8H,1,5H2,2H3;5H,4H2,1H3;1,3-4H2,2H3;2H,1,3H2;3*1H4;2*1H;;;;/q;;;;-1;;;;;;;2*+1;+2;-1/p-2.
What are the key properties of lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne?
lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne has a molecular weight of 923.70 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne is sourced from PubChem (CID 159999269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).