(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane

C114H195Cl3O10S — CID 157472579

IUPAC(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane
SMILESC.C/C(=C\CO)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CO.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CCC=C(C)C.ClCCl
InChIInChI=1S/C32H48O2S.2C16H28O2.C15H26O3.C11H19Cl.C11H20O.C11H20.CH2Cl2.CH4/c1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;2*1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15;2*1-4-6-10(2)7-5-8-11(3)9-12;1-5-7-11(4)9-6-8-10(2)3;2-1-3;/h7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;2*8,10,16H,4-7,9,11-13H2,1-3H3;7,9,15-16H,3-6,8,10-12H2,1-2H3;6,8H,4-5,7,9H2,1-3H3;6,8,12H,4-5,7,9H2,1-3H3;7-8H,5-6,9H2,1-4H3;1H2;1H4/b26-14+,27-16+,28-24+,29-18+;2*14-8+,15-10+;13-9+,14-7+;2*10-6+,11-8+;11-7+;;
InChIKeyBVFHKLLGMXSDSI-AWDUNRINSA-N
MW1864.23 g/mol
LogP35.77
Rot. Bonds50

About (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane

(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane (PubChem CID 157472579) has the molecular formula C114H195Cl3O10S and a molecular weight of 1864.23 g/mol. Its IUPAC name is (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane.

Molecular Properties

Compound Name(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane
PubChem CID157472579
Molecular FormulaC114H195Cl3O10S
Molecular Weight1864.23 g/mol
Exact Mass1861.35
IUPAC Name(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane
SMILESC.C/C(=C\CO)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CO.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CCC=C(C)C.ClCCl
InChIInChI=1S/C32H48O2S.2C16H28O2.C15H26O3.C11H19Cl.C11H20O.C11H20.CH2Cl2.CH4/c1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;2*1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15;2*1-4-6-10(2)7-5-8-11(3)9-12;1-5-7-11(4)9-6-8-10(2)3;2-1-3;/h7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;2*8,10,16H,4-7,9,11-13H2,1-3H3;7,9,15-16H,3-6,8,10-12H2,1-2H3;6,8H,4-5,7,9H2,1-3H3;6,8,12H,4-5,7,9H2,1-3H3;7-8H,5-6,9H2,1-4H3;1H2;1H4/b26-14+,27-16+,28-24+,29-18+;2*14-8+,15-10+;13-9+,14-7+;2*10-6+,11-8+;11-7+;;
InChIKeyBVFHKLLGMXSDSI-AWDUNRINSA-N
XLogP35.77
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds50
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.23
LogP ≤ 535.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane?
The IUPAC name of (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane (CID 157472579) is (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane.
What is the SMILES notation for (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane?
The canonical SMILES for (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane is C.C/C(=C\CO)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CO.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.CC/C=C(\C)CCC=C(C)C.ClCCl.
What is the InChIKey of (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane?
The InChIKey is BVFHKLLGMXSDSI-AWDUNRINSA-N. The full InChI is InChI=1S/C32H48O2S.2C16H28O2.C15H26O3.C11H19Cl.C11H20O.C11H20.CH2Cl2.CH4/c1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;2*1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15;2*1-4-6-10(2)7-5-8-11(3)9-12;1-5-7-11(4)9-6-8-10(2)3;2-1-3;/h7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;2*8,10,16H,4-7,9,11-13H2,1-3H3;7,9,15-16H,3-6,8,10-12H2,1-2H3;6,8H,4-5,7,9H2,1-3H3;6,8,12H,4-5,7,9H2,1-3H3;7-8H,5-6,9H2,1-4H3;1H2;1H4/b26-14+,27-16+,28-24+,29-18+;2*14-8+,15-10+;13-9+,14-7+;2*10-6+,11-8+;11-7+;;.
What are the key properties of (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane?
(2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane has a molecular weight of 1864.23 g/mol, XLogP of 35.77, 50 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-chloro-2,6-dimethylnona-2,6-diene;dichloromethane;(6E)-2,6-dimethylnona-2,6-diene;(2E,6E)-2,6-dimethylnona-2,6-dien-1-ol;bis(2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane);(2E,6E)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol;methane;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane is sourced from PubChem (CID 157472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).