dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate

C32H54K2O10S — CID 160842500

IUPACdipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate
SMILESC=C(C)C(CC=C(C)C)COC(=O)C=C(C)C.C=C(C)C(CC=C(C)C)COS(C)(=O)=O.CC(C)=CC(=O)O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C15H24O2.C11H20O3S.C5H8O2.CH2O3.2K.H/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4;1-9(2)6-7-11(10(3)4)8-14-15(5,12)13;1-4(2)3-5(6)7;2-1-4-3;;;/h7,9,14H,5,8,10H2,1-4,6H3;6,11H,3,7-8H2,1-2,4-5H3;3H,1-2H3,(H,6,7);1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyFULZARROFRJARK-UHFFFAOYSA-M
MW709.04 g/mol
LogP0.15
Rot. Bonds14

About dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate

dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate (PubChem CID 160842500) has the molecular formula C32H54K2O10S and a molecular weight of 709.04 g/mol. Its IUPAC name is dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate.

Molecular Properties

Compound Namedipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate
PubChem CID160842500
Molecular FormulaC32H54K2O10S
Molecular Weight709.04 g/mol
Exact Mass708.27
IUPAC Namedipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate
SMILESC=C(C)C(CC=C(C)C)COC(=O)C=C(C)C.C=C(C)C(CC=C(C)C)COS(C)(=O)=O.CC(C)=CC(=O)O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C15H24O2.C11H20O3S.C5H8O2.CH2O3.2K.H/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4;1-9(2)6-7-11(10(3)4)8-14-15(5,12)13;1-4(2)3-5(6)7;2-1-4-3;;;/h7,9,14H,5,8,10H2,1-4,6H3;6,11H,3,7-8H2,1-2,4-5H3;3H,1-2H3,(H,6,7);1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyFULZARROFRJARK-UHFFFAOYSA-M
XLogP0.15
TPSA156.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.04
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2,2,2-trifluoroacetate
CID 549682
[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl] (2R)-2-methylbutanoate
CID 87232659
ethene;3-methylbut-2-enoic acid
CID 157400085
calcium;hydride;3-methylbut-2-enoic acid
CID 175564859
3-methylsulfonyloxybut-2-enoic acid
CID 154095640
azane;3-methylbut-2-enoic acid
CID 21422194
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate
CID 121452919
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141080545
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141192139
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141061344
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141192145

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate?
The IUPAC name of dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate (CID 160842500) is dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate.
What is the SMILES notation for dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate?
The canonical SMILES for dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate is C=C(C)C(CC=C(C)C)COC(=O)C=C(C)C.C=C(C)C(CC=C(C)C)COS(C)(=O)=O.CC(C)=CC(=O)O.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate?
The InChIKey is FULZARROFRJARK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O2.C11H20O3S.C5H8O2.CH2O3.2K.H/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4;1-9(2)6-7-11(10(3)4)8-14-15(5,12)13;1-4(2)3-5(6)7;2-1-4-3;;;/h7,9,14H,5,8,10H2,1-4,6H3;6,11H,3,7-8H2,1-2,4-5H3;3H,1-2H3,(H,6,7);1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate?
dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate has a molecular weight of 709.04 g/mol, XLogP of 0.15, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;3-methylbut-2-enoic acid;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) methanesulfonate;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;oxido formate is sourced from PubChem (CID 160842500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).