2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one

C173H295ClF4N2O26S — CID 167618283

IUPAC2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
SMILESC/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C=C(Cl)C(=O)C(C)(C)C.C=C(F)C(=O)C(C)(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)OCCC(=O)C(C)(C)C.C=CS(=C)(C)=O.CC#CC(=O)C(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(C)(C)C(=O)C1=CCC1.CC(C)=CC(=O)C(C)(C)C.CC(F)(F)/C=C/C(=O)C(C)(C)C.CC(F)/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C(=O)/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.COC/C=C/C(=O)C(C)(C)C.[2H]C([2H])=C([2H])C(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2.C10H19NO.C10H16O3.C9H14F2O.C9H15FO.C9H16O2.C9H14O2.C9H14O.3C9H16O.3C8H14O.C8H12O.C7H11ClO.C7H11FO.C7H14O.2C7H12O.C4H8OS/c1-10(2,3)8(12)6-7-9(13)11(4)5;1-10(2,3)9(12)7-6-8-11(4)5;1-5-9(12)13-7-6-8(11)10(2,3)4;1-8(2,3)7(12)5-6-9(4,10)11;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)6-5-7-11-4;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)7-5-4-6-7;1-7(2)6-8(10)9(3,4)5;2*1-5-6-7-8(10)9(2,3)4;4*1-5-6-7(9)8(2,3)4;2*1-5(8)6(9)7(2,3)4;3*1-5-6(8)7(2,3)4;1-4-6(2,3)5/h6-7H,1-5H3;6-7H,8H2,1-5H3;5H,1,6-7H2,2-4H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3;5-6H,1-4H3;5H,4,6H2,1-3H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;1-4H3;2*1H2,2-4H3;5H2,1-4H3;2*5H,1H2,2-4H3;4H,1-2H2,3H3/b2*7-6+;;4*6-5+;;;2*7-6+;3*6-5+;;;;;;;/i;;;;;;;;;;;;;;;;;;1D2,5D;;
InChIKeyMBICXLPWUCIHOP-QKMGPWILSA-N
MW2965.78 g/mol
LogP42.25
Rot. Bonds33

About 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one

2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (PubChem CID 167618283) has the molecular formula C173H295ClF4N2O26S and a molecular weight of 2965.78 g/mol. Its IUPAC name is 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one.

Molecular Properties

Compound Name2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
PubChem CID167618283
Molecular FormulaC173H295ClF4N2O26S
Molecular Weight2965.78 g/mol
Exact Mass2963.14
IUPAC Name2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
SMILESC/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C=C(Cl)C(=O)C(C)(C)C.C=C(F)C(=O)C(C)(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)OCCC(=O)C(C)(C)C.C=CS(=C)(C)=O.CC#CC(=O)C(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(C)(C)C(=O)C1=CCC1.CC(C)=CC(=O)C(C)(C)C.CC(F)(F)/C=C/C(=O)C(C)(C)C.CC(F)/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C(=O)/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.COC/C=C/C(=O)C(C)(C)C.[2H]C([2H])=C([2H])C(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2.C10H19NO.C10H16O3.C9H14F2O.C9H15FO.C9H16O2.C9H14O2.C9H14O.3C9H16O.3C8H14O.C8H12O.C7H11ClO.C7H11FO.C7H14O.2C7H12O.C4H8OS/c1-10(2,3)8(12)6-7-9(13)11(4)5;1-10(2,3)9(12)7-6-8-11(4)5;1-5-9(12)13-7-6-8(11)10(2,3)4;1-8(2,3)7(12)5-6-9(4,10)11;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)6-5-7-11-4;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)7-5-4-6-7;1-7(2)6-8(10)9(3,4)5;2*1-5-6-7-8(10)9(2,3)4;4*1-5-6-7(9)8(2,3)4;2*1-5(8)6(9)7(2,3)4;3*1-5-6(8)7(2,3)4;1-4-6(2,3)5/h6-7H,1-5H3;6-7H,8H2,1-5H3;5H,1,6-7H2,2-4H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3;5-6H,1-4H3;5H,4,6H2,1-3H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;1-4H3;2*1H2,2-4H3;5H2,1-4H3;2*5H,1H2,2-4H3;4H,1-2H2,3H3/b2*7-6+;;4*6-5+;;;2*7-6+;3*6-5+;;;;;;;/i;;;;;;;;;;;;;;;;;;1D2,5D;;
InChIKeyMBICXLPWUCIHOP-QKMGPWILSA-N
XLogP42.25
TPSA434.62 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002965.78
LogP ≤ 542.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?
The IUPAC name of 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (CID 167618283) is 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one.
What is the SMILES notation for 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?
The canonical SMILES for 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one is C/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C=C(Cl)C(=O)C(C)(C)C.C=C(F)C(=O)C(C)(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)OCCC(=O)C(C)(C)C.C=CS(=C)(C)=O.CC#CC(=O)C(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(C)(C)C(=O)C1=CCC1.CC(C)=CC(=O)C(C)(C)C.CC(F)(F)/C=C/C(=O)C(C)(C)C.CC(F)/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CC/C=C/C(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C(=O)/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.COC/C=C/C(=O)C(C)(C)C.[2H]C([2H])=C([2H])C(=O)C(C)(C)C.
What is the InChIKey of 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?
The InChIKey is MBICXLPWUCIHOP-QKMGPWILSA-N. The full InChI is InChI=1S/C10H17NO2.C10H19NO.C10H16O3.C9H14F2O.C9H15FO.C9H16O2.C9H14O2.C9H14O.3C9H16O.3C8H14O.C8H12O.C7H11ClO.C7H11FO.C7H14O.2C7H12O.C4H8OS/c1-10(2,3)8(12)6-7-9(13)11(4)5;1-10(2,3)9(12)7-6-8-11(4)5;1-5-9(12)13-7-6-8(11)10(2,3)4;1-8(2,3)7(12)5-6-9(4,10)11;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)6-5-7-11-4;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(10)7-5-4-6-7;1-7(2)6-8(10)9(3,4)5;2*1-5-6-7-8(10)9(2,3)4;4*1-5-6-7(9)8(2,3)4;2*1-5(8)6(9)7(2,3)4;3*1-5-6(8)7(2,3)4;1-4-6(2,3)5/h6-7H,1-5H3;6-7H,8H2,1-5H3;5H,1,6-7H2,2-4H3;5-6H,1-4H3;5-7H,1-4H3;5-6H,7H2,1-4H3;5-6H,1-4H3;5H,4,6H2,1-3H3;6H,1-5H3;2*6-7H,5H2,1-4H3;3*5-6H,1-4H3;1-4H3;2*1H2,2-4H3;5H2,1-4H3;2*5H,1H2,2-4H3;4H,1-2H2,3H3/b2*7-6+;;4*6-5+;;;2*7-6+;3*6-5+;;;;;;;/i;;;;;;;;;;;;;;;;;;1D2,5D;;.
What are the key properties of 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?
2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one has a molecular weight of 2965.78 g/mol, XLogP of 42.25, 33 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-dimethylpent-1-en-3-one;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;(E)-6,6-difluoro-2,2-dimethylhept-4-en-3-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-6,6-dimethylhept-3-ene-2,5-dione;bis((E)-2,2-dimethylhept-4-en-3-one);tris((E)-2,2-dimethylhex-4-en-3-one);2,2-dimethylhex-4-yn-3-one;(4,4-dimethyl-3-oxopentyl) prop-2-enoate;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;ethenyl-methyl-methylidene-oxo-λ6-sulfane;(E)-6-fluoro-2,2-dimethylhept-4-en-3-one;2-fluoro-4,4-dimethylpent-1-en-3-one;(E)-6-methoxy-2,2-dimethylhex-4-en-3-one;(E)-N,N,5,5-tetramethyl-4-oxohex-2-enamide;1,1,2-trideuterio-4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one is sourced from PubChem (CID 167618283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).