2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)

C182H359Br2ClN4O17 — CID 160810871

IUPAC2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)
SMILESCC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CCCC(C)(C)Br.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OCC(=O)NO.CC/C=C(\C)CCCC(C)(C)OCC(=O)O.CC/C=C(\C)CCCC(C)(C)OCC(=O)OC.CCC=C(C)C.CCCC(C)(C)Br.CCCC(C)(C)Cl.CCCC(C)(C)N=[N+]=[N-].CCCC(C)(C)O.CCCC(C)(C)O
InChIInChI=1S/C14H26O3.C13H25NO3.C13H24O3.2C13H24O2.3C12H24.C11H21Br.2C11H22O.C11H20.C6H13Br.C6H13Cl.C6H13N3.2C6H14O.C6H12/c1-6-8-12(2)9-7-10-14(3,4)17-11-13(15)16-5;1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16;1-5-7-11(2)8-6-9-13(3,4)16-10-12(14)15;2*1-6-8-11(2)9-7-10-13(4,5)15-12(3)14;3*1-6-8-11(2)9-7-10-12(3,4)5;3*1-5-7-10(2)8-6-9-11(3,4)12;1-5-7-11(4)9-6-8-10(2)3;2*1-4-5-6(2,3)7;1-4-5-6(2,3)8-9-7;2*1-4-5-6(2,3)7;1-4-5-6(2)3/h8H,6-7,9-11H2,1-5H3;7,16H,5-6,8-10H2,1-4H3,(H,14,15);7H,5-6,8-10H2,1-4H3,(H,14,15);2*8H,6-7,9-10H2,1-5H3;3*8H,6-7,9-10H2,1-5H3;7H,5-6,8-9H2,1-4H3;2*7,12H,5-6,8-9H2,1-4H3;7-8H,5-6,9H2,1-4H3;2*4-5H2,1-3H3;4-5H2,1-3H3;2*7H,4-5H2,1-3H3;5H,4H2,1-3H3/b12-8+;2*11-7+;5*11-8+;3*10-7+;11-7+;;;;;;
InChIKeySEHLQGJASRVHMV-NECBGNGDSA-N
MW3071.15 g/mol
LogP60.53
Rot. Bonds79

About 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)

2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) (PubChem CID 160810871) has the molecular formula C182H359Br2ClN4O17 and a molecular weight of 3071.15 g/mol. Its IUPAC name is 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene).

Molecular Properties

Compound Name2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)
PubChem CID160810871
Molecular FormulaC182H359Br2ClN4O17
Molecular Weight3071.15 g/mol
Exact Mass3066.54
IUPAC Name2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)
SMILESCC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CCCC(C)(C)Br.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OCC(=O)NO.CC/C=C(\C)CCCC(C)(C)OCC(=O)O.CC/C=C(\C)CCCC(C)(C)OCC(=O)OC.CCC=C(C)C.CCCC(C)(C)Br.CCCC(C)(C)Cl.CCCC(C)(C)N=[N+]=[N-].CCCC(C)(C)O.CCCC(C)(C)O
InChIInChI=1S/C14H26O3.C13H25NO3.C13H24O3.2C13H24O2.3C12H24.C11H21Br.2C11H22O.C11H20.C6H13Br.C6H13Cl.C6H13N3.2C6H14O.C6H12/c1-6-8-12(2)9-7-10-14(3,4)17-11-13(15)16-5;1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16;1-5-7-11(2)8-6-9-13(3,4)16-10-12(14)15;2*1-6-8-11(2)9-7-10-13(4,5)15-12(3)14;3*1-6-8-11(2)9-7-10-12(3,4)5;3*1-5-7-10(2)8-6-9-11(3,4)12;1-5-7-11(4)9-6-8-10(2)3;2*1-4-5-6(2,3)7;1-4-5-6(2,3)8-9-7;2*1-4-5-6(2,3)7;1-4-5-6(2)3/h8H,6-7,9-11H2,1-5H3;7,16H,5-6,8-10H2,1-4H3,(H,14,15);7H,5-6,8-10H2,1-4H3,(H,14,15);2*8H,6-7,9-10H2,1-5H3;3*8H,6-7,9-10H2,1-5H3;7H,5-6,8-9H2,1-4H3;2*7,12H,5-6,8-9H2,1-4H3;7-8H,5-6,9H2,1-4H3;2*4-5H2,1-3H3;4-5H2,1-3H3;2*7H,4-5H2,1-3H3;5H,4H2,1-3H3/b12-8+;2*11-7+;5*11-8+;3*10-7+;11-7+;;;;;;
InChIKeySEHLQGJASRVHMV-NECBGNGDSA-N
XLogP60.53
TPSA322.90 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds79
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003071.15
LogP ≤ 560.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)?
The IUPAC name of 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) (CID 160810871) is 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene).
What is the SMILES notation for 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)?
The canonical SMILES for 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) is CC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CCCC(C)(C)Br.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)C.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OC(C)=O.CC/C=C(\C)CCCC(C)(C)OCC(=O)NO.CC/C=C(\C)CCCC(C)(C)OCC(=O)O.CC/C=C(\C)CCCC(C)(C)OCC(=O)OC.CCC=C(C)C.CCCC(C)(C)Br.CCCC(C)(C)Cl.CCCC(C)(C)N=[N+]=[N-].CCCC(C)(C)O.CCCC(C)(C)O.
What is the InChIKey of 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)?
The InChIKey is SEHLQGJASRVHMV-NECBGNGDSA-N. The full InChI is InChI=1S/C14H26O3.C13H25NO3.C13H24O3.2C13H24O2.3C12H24.C11H21Br.2C11H22O.C11H20.C6H13Br.C6H13Cl.C6H13N3.2C6H14O.C6H12/c1-6-8-12(2)9-7-10-14(3,4)17-11-13(15)16-5;1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16;1-5-7-11(2)8-6-9-13(3,4)16-10-12(14)15;2*1-6-8-11(2)9-7-10-13(4,5)15-12(3)14;3*1-6-8-11(2)9-7-10-12(3,4)5;3*1-5-7-10(2)8-6-9-11(3,4)12;1-5-7-11(4)9-6-8-10(2)3;2*1-4-5-6(2,3)7;1-4-5-6(2,3)8-9-7;2*1-4-5-6(2,3)7;1-4-5-6(2)3/h8H,6-7,9-11H2,1-5H3;7,16H,5-6,8-10H2,1-4H3,(H,14,15);7H,5-6,8-10H2,1-4H3,(H,14,15);2*8H,6-7,9-10H2,1-5H3;3*8H,6-7,9-10H2,1-5H3;7H,5-6,8-9H2,1-4H3;2*7,12H,5-6,8-9H2,1-4H3;7-8H,5-6,9H2,1-4H3;2*4-5H2,1-3H3;4-5H2,1-3H3;2*7H,4-5H2,1-3H3;5H,4H2,1-3H3/b12-8+;2*11-7+;5*11-8+;3*10-7+;11-7+;;;;;;.
What are the key properties of 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)?
2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) has a molecular weight of 3071.15 g/mol, XLogP of 60.53, 79 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene) is sourced from PubChem (CID 160810871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).