3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C176H257B3BrClNO14P — CID 160817214

IUPAC3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESC.C.C#CC[C@@H](C)CCCCC.C=CCBr.C=CCc1c(C)cccc1C(=O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C(O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C=O.C=CCc1c(C)cccc1CC.C=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1[C@@H](C)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1[C@@H](O)C#CCC[C@H](CCCCC)OC1CCCCO1.CB1OB(C)OB(C)O1.CC(=O)C(=O)Cl.CCc1cccc(C)c1.Cc1cccc(CO)c1.OC(P)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C26H38O3.C23H34.C22H32O.C22H30O.C12H16.C11H16NOP.C11H14O.C11H12O.C10H18.C9H12.C8H10O.C3H9B3O3.C3H5Br.C3H3ClO2.2CH4/c1-4-6-7-15-22(29-26-19-10-11-20-28-26)16-8-9-18-25(27)24-17-12-14-21(3)23(24)13-5-2;1-6-8-9-14-19(3)15-10-11-16-20(4)23-18-12-17-21(5)22(23)13-7-2;2*1-5-7-8-13-18(3)14-9-10-17-22(23)21-16-11-15-19(4)20(21)12-6-2;1-4-7-12-10(3)8-6-9-11(12)5-2;13-11(14,10-7-4-8-12-10)9-5-2-1-3-6-9;2*1-3-5-11-9(2)6-4-7-10(11)8-12;1-4-6-7-9-10(3)8-5-2;1-3-9-6-4-5-8(2)7-9;1-7-3-2-4-8(5-7)6-9;1-4-7-5(2)9-6(3)8-4;1-2-3-4;1-2(5)3(4)6;;/h5,12,14,17,22,25-27H,2,4,6-8,10-11,13,15-16,19-20H2,1,3H3;7,12,17-20H,2,6,8-10,13-15H2,1,3-5H3;6,11,15-16,18,22-23H,2,5,7-9,12-14H2,1,3-4H3;6,11,15-16,18H,2,5,7-9,12-14H2,1,3-4H3;4,6,8-9H,1,5,7H2,2-3H3;1-3,5-6,10,12-13H,4,7-8,14H2;3-4,6-7,12H,1,5,8H2,2H3;3-4,6-8H,1,5H2,2H3;2,10H,4,6-9H2,1,3H3;4-7H,3H2,1-2H3;2-5,9H,6H2,1H3;1-3H3;2H,1,3H2;1H3;2*1H4/t22-,25-,26?;19-,20-;18-,22?;18-;;10-,11?;;;10-;;;;;;;/m0000.0..1......./s1
InChIKeySFBBSXHXKUZWTN-GOEDVAAISA-N
MW2789.75 g/mol
LogP44.87
Rot. Bonds58

About 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 160817214) has the molecular formula C176H257B3BrClNO14P and a molecular weight of 2789.75 g/mol. Its IUPAC name is 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
PubChem CID160817214
Molecular FormulaC176H257B3BrClNO14P
Molecular Weight2789.75 g/mol
Exact Mass2786.83
IUPAC Name3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESC.C.C#CC[C@@H](C)CCCCC.C=CCBr.C=CCc1c(C)cccc1C(=O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C(O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C=O.C=CCc1c(C)cccc1CC.C=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1[C@@H](C)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1[C@@H](O)C#CCC[C@H](CCCCC)OC1CCCCO1.CB1OB(C)OB(C)O1.CC(=O)C(=O)Cl.CCc1cccc(C)c1.Cc1cccc(CO)c1.OC(P)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C26H38O3.C23H34.C22H32O.C22H30O.C12H16.C11H16NOP.C11H14O.C11H12O.C10H18.C9H12.C8H10O.C3H9B3O3.C3H5Br.C3H3ClO2.2CH4/c1-4-6-7-15-22(29-26-19-10-11-20-28-26)16-8-9-18-25(27)24-17-12-14-21(3)23(24)13-5-2;1-6-8-9-14-19(3)15-10-11-16-20(4)23-18-12-17-21(5)22(23)13-7-2;2*1-5-7-8-13-18(3)14-9-10-17-22(23)21-16-11-15-19(4)20(21)12-6-2;1-4-7-12-10(3)8-6-9-11(12)5-2;13-11(14,10-7-4-8-12-10)9-5-2-1-3-6-9;2*1-3-5-11-9(2)6-4-7-10(11)8-12;1-4-6-7-9-10(3)8-5-2;1-3-9-6-4-5-8(2)7-9;1-7-3-2-4-8(5-7)6-9;1-4-7-5(2)9-6(3)8-4;1-2-3-4;1-2(5)3(4)6;;/h5,12,14,17,22,25-27H,2,4,6-8,10-11,13,15-16,19-20H2,1,3H3;7,12,17-20H,2,6,8-10,13-15H2,1,3-5H3;6,11,15-16,18,22-23H,2,5,7-9,12-14H2,1,3-4H3;6,11,15-16,18H,2,5,7-9,12-14H2,1,3-4H3;4,6,8-9H,1,5,7H2,2-3H3;1-3,5-6,10,12-13H,4,7-8,14H2;3-4,6-7,12H,1,5,8H2,2H3;3-4,6-8H,1,5H2,2H3;2,10H,4,6-9H2,1,3H3;4-7H,3H2,1-2H3;2-5,9H,6H2,1H3;1-3H3;2H,1,3H2;1H3;2*1H4/t22-,25-,26?;19-,20-;18-,22?;18-;;10-,11?;;;10-;;;;;;;/m0000.0..1......./s1
InChIKeySFBBSXHXKUZWTN-GOEDVAAISA-N
XLogP44.87
TPSA227.61 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds58
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.75
LogP ≤ 544.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane with MolForge

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Launch Full Analysis

Related Compounds

(6S)-6-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enylphenyl)undec-2-yn-1-ol
CID 11156084
2-dec-1-yn-5-yloxyoxane;3-hydroxybenzaldehyde;3-hydroxy-2-prop-2-enylbenzaldehyde;methane;6-(oxan-2-yloxy)-1-(3-prop-2-enoxy-2-prop-2-enylphenyl)undec-2-yn-1-ol;3-prop-2-enoxybenzaldehyde;bis(3-prop-2-enoxy-2-prop-2-enylbenzaldehyde)
CID 158691617
tert-butyl-dimethyl-[(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-ynoxy]silane
CID 59906212
6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol
CID 20743127
1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)hex-2-yn-1-one
CID 121271672
2-[6-(3-methoxy-2-prop-2-enylphenyl)hept-4-ynoxy]oxane
CID 121279886
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
(6S)-1-(3,6-dimethyl-2-prop-2-enylbenzene-4-id-1-yl)-6-methoxyundec-2-yn-1-ol;yttrium
CID 147024301
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
CID 159774139
CID 159774139
ethane;1-ethyl-3-methylbenzene;oct-4-yn-3-one
CID 142120923
[4-[6-(oxan-2-yloxy)hexoxy]phenyl] 4-[6-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066827

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 160817214) is 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is C.C.C#CC[C@@H](C)CCCCC.C=CCBr.C=CCc1c(C)cccc1C(=O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C(O)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1C=O.C=CCc1c(C)cccc1CC.C=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1[C@@H](C)C#CCC[C@@H](C)CCCCC.C=CCc1c(C)cccc1[C@@H](O)C#CCC[C@H](CCCCC)OC1CCCCO1.CB1OB(C)OB(C)O1.CC(=O)C(=O)Cl.CCc1cccc(C)c1.Cc1cccc(CO)c1.OC(P)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is SFBBSXHXKUZWTN-GOEDVAAISA-N. The full InChI is InChI=1S/C26H38O3.C23H34.C22H32O.C22H30O.C12H16.C11H16NOP.C11H14O.C11H12O.C10H18.C9H12.C8H10O.C3H9B3O3.C3H5Br.C3H3ClO2.2CH4/c1-4-6-7-15-22(29-26-19-10-11-20-28-26)16-8-9-18-25(27)24-17-12-14-21(3)23(24)13-5-2;1-6-8-9-14-19(3)15-10-11-16-20(4)23-18-12-17-21(5)22(23)13-7-2;2*1-5-7-8-13-18(3)14-9-10-17-22(23)21-16-11-15-19(4)20(21)12-6-2;1-4-7-12-10(3)8-6-9-11(12)5-2;13-11(14,10-7-4-8-12-10)9-5-2-1-3-6-9;2*1-3-5-11-9(2)6-4-7-10(11)8-12;1-4-6-7-9-10(3)8-5-2;1-3-9-6-4-5-8(2)7-9;1-7-3-2-4-8(5-7)6-9;1-4-7-5(2)9-6(3)8-4;1-2-3-4;1-2(5)3(4)6;;/h5,12,14,17,22,25-27H,2,4,6-8,10-11,13,15-16,19-20H2,1,3H3;7,12,17-20H,2,6,8-10,13-15H2,1,3-5H3;6,11,15-16,18,22-23H,2,5,7-9,12-14H2,1,3-4H3;6,11,15-16,18H,2,5,7-9,12-14H2,1,3-4H3;4,6,8-9H,1,5,7H2,2-3H3;1-3,5-6,10,12-13H,4,7-8,14H2;3-4,6-7,12H,1,5,8H2,2H3;3-4,6-8H,1,5H2,2H3;2,10H,4,6-9H2,1,3H3;4-7H,3H2,1-2H3;2-5,9H,6H2,1H3;1-3H3;2H,1,3H2;1H3;2*1H4/t22-,25-,26?;19-,20-;18-,22?;18-;;10-,11?;;;10-;;;;;;;/m0000.0..1......./s1.
What are the key properties of 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 2789.75 g/mol, XLogP of 44.87, 58 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-ene;1-ethyl-3-methylbenzene;1-ethyl-3-methyl-2-prop-2-enylbenzene;methane;1-methyl-3-[(2S,7S)-7-methyldodec-3-yn-2-yl]-2-prop-2-enylbenzene;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-ol;(6S)-6-methyl-1-(3-methyl-2-prop-2-enylphenyl)undec-2-yn-1-one;(4S)-4-methylnon-1-yne;(3-methylphenyl)methanol;3-methyl-2-prop-2-enylbenzaldehyde;(3-methyl-2-prop-2-enylphenyl)methanol;(1S,6S)-1-(3-methyl-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-ol;2-oxopropanoyl chloride;phenyl-phosphanyl-[(2S)-pyrrolidin-2-yl]methanol;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 160817214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).