2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene

C209H426O3 — CID 162175446

IUPAC2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene
SMILESC/C=C/C=C/C(C)C.CC(C)=CCC/C(C)=C/C(C)C.CC(C)CC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.CCCCCCCC(C)C.CCCCCCCC/C=C\CCCCCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCCC(C)C.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(C)C.CCCCCC[C@H](C/C=C\CCCCCCCC(C)C)OC(=O)Cc1ccccc1
InChIInChI=1S/C28H46O2.C20H40O.C20H42.C20H40.C17H36.C14H30.C12H22.C12H26.C11H24.C10H22.C9H20.C8H18.C8H14.2C7H16.C6H14/c1-4-5-6-17-22-27(30-28(29)24-26-20-15-13-16-21-26)23-18-12-10-8-7-9-11-14-19-25(2)3;1-4-5-6-14-17-20(21)18-15-12-10-8-7-9-11-13-16-19(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-10(2)7-6-8-12(5)9-11(3)4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-5-6-7-8-9-10(2)3;1-4-5-6-7-8-9(2)3;2*1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-5-6(2)3/h12-13,15-16,18,20-21,25,27H,4-11,14,17,19,22-24H2,1-3H3;12,15,19-21H,4-11,13-14,16-18H2,1-3H3;20H,4-19H2,1-3H3;11-12,20H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3;14H,4-13H2,1-3H3;7,9,11H,6,8H2,1-5H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3/b18-12-;15-12-;;12-11-;;;12-9+;;;;;;5-4+,7-6+;;;/t27-;20-;;;;;;;;;;;;;;/m11............../s1
InChIKeyZOIIVRAMYVDPMJ-KRGRGUGTSA-N
MW2987.70 g/mol
LogP78.06
Rot. Bonds130

About 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene

2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene (PubChem CID 162175446) has the molecular formula C209H426O3 and a molecular weight of 2987.70 g/mol. Its IUPAC name is 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene.

Molecular Properties

Compound Name2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene
PubChem CID162175446
Molecular FormulaC209H426O3
Molecular Weight2987.70 g/mol
Exact Mass2985.32
IUPAC Name2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene
SMILESC/C=C/C=C/C(C)C.CC(C)=CCC/C(C)=C/C(C)C.CC(C)CC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.CCCCCCCC(C)C.CCCCCCCC/C=C\CCCCCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCCC(C)C.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(C)C.CCCCCC[C@H](C/C=C\CCCCCCCC(C)C)OC(=O)Cc1ccccc1
InChIInChI=1S/C28H46O2.C20H40O.C20H42.C20H40.C17H36.C14H30.C12H22.C12H26.C11H24.C10H22.C9H20.C8H18.C8H14.2C7H16.C6H14/c1-4-5-6-17-22-27(30-28(29)24-26-20-15-13-16-21-26)23-18-12-10-8-7-9-11-14-19-25(2)3;1-4-5-6-14-17-20(21)18-15-12-10-8-7-9-11-13-16-19(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-10(2)7-6-8-12(5)9-11(3)4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-5-6-7-8-9-10(2)3;1-4-5-6-7-8-9(2)3;2*1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-5-6(2)3/h12-13,15-16,18,20-21,25,27H,4-11,14,17,19,22-24H2,1-3H3;12,15,19-21H,4-11,13-14,16-18H2,1-3H3;20H,4-19H2,1-3H3;11-12,20H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3;14H,4-13H2,1-3H3;7,9,11H,6,8H2,1-5H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3/b18-12-;15-12-;;12-11-;;;12-9+;;;;;;5-4+,7-6+;;;/t27-;20-;;;;;;;;;;;;;;/m11............../s1
InChIKeyZOIIVRAMYVDPMJ-KRGRGUGTSA-N
XLogP78.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds130
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002987.70
LogP ≤ 578.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene with MolForge

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Related Compounds

ethane;[(Z)-octadec-9-en-7-yl] 2-phenylacetate
CID 142469277
(Z,14R)-14-(14-hydroxyicos-11-enoyloxy)henicos-11-enoic acid
CID 87208261
(Z,12R)-12-[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxyoctadec-9-enoic acid
CID 87110525
hexadecan-4-yl (12R)-12-hydroxyoctadec-9-enoate
CID 91107487
icosan-9-yl 12-hydroxyoctadec-9-enoate
CID 71340306
[(7R)-18-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-18-oxooctadec-9-en-7-yl] 2-phenylacetate
CID 91395007
[2-methoxy-4-[[[(Z,12R)-12-(2-phenylacetyl)oxyoctadec-9-enoyl]amino]methyl]phenyl] 2-phenylacetate
CID 135012358
[(Z,7R)-18-[(4-hydroxy-3-methoxyphenyl)methylamino]-18-oxooctadec-9-en-7-yl] 2-phenylacetate
CID 25171466
acetic acid;decanoyl (9Z,12Z)-octadeca-9,12-dienoate;hexadecanoic acid;(Z,12R)-12-hydroxyoctadec-9-enoic acid;8-methylnonanoic acid;octanoic acid
CID 173457225
2-[(Z)-12-acetyloxyoctadec-9-enoyl]oxybenzoic acid;[(Z)-18-(2-methylphenoxy)-18-oxooctadec-9-en-7-yl] 2-[(Z)-12-hydroxyoctadec-9-enoyl]oxybenzoate
CID 158493848
5-methylhexyl (12R)-12-hydroxyoctadec-9-enoate
CID 54483460
(Z,12R)-12-(9-carboxynonanoyloxy)octadec-9-enoic acid
CID 87637964

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene?
The IUPAC name of 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene (CID 162175446) is 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene.
What is the SMILES notation for 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene?
The canonical SMILES for 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene is C/C=C/C=C/C(C)C.CC(C)=CCC/C(C)=C/C(C)C.CC(C)CC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.CCCCCCCC(C)C.CCCCCCCC/C=C\CCCCCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCC(C)C.CCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCCC(C)C.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(C)C.CCCCCC[C@H](C/C=C\CCCCCCCC(C)C)OC(=O)Cc1ccccc1.
What is the InChIKey of 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene?
The InChIKey is ZOIIVRAMYVDPMJ-KRGRGUGTSA-N. The full InChI is InChI=1S/C28H46O2.C20H40O.C20H42.C20H40.C17H36.C14H30.C12H22.C12H26.C11H24.C10H22.C9H20.C8H18.C8H14.2C7H16.C6H14/c1-4-5-6-17-22-27(30-28(29)24-26-20-15-13-16-21-26)23-18-12-10-8-7-9-11-14-19-25(2)3;1-4-5-6-14-17-20(21)18-15-12-10-8-7-9-11-13-16-19(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-10(2)7-6-8-12(5)9-11(3)4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-5-6-7-8-9-10(2)3;1-4-5-6-7-8-9(2)3;2*1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-5-6(2)3/h12-13,15-16,18,20-21,25,27H,4-11,14,17,19,22-24H2,1-3H3;12,15,19-21H,4-11,13-14,16-18H2,1-3H3;20H,4-19H2,1-3H3;11-12,20H,4-10,13-19H2,1-3H3;17H,4-16H2,1-3H3;14H,4-13H2,1-3H3;7,9,11H,6,8H2,1-5H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3/b18-12-;15-12-;;12-11-;;;12-9+;;;;;;5-4+,7-6+;;;/t27-;20-;;;;;;;;;;;;;;/m11............../s1.
What are the key properties of 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene?
2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene has a molecular weight of 2987.70 g/mol, XLogP of 78.06, 130 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;2-methyldecane;(2E,4E)-6-methylhepta-2,4-diene;2-methylheptane;2-methylhexadecane;2-methylhexane;2-methylnonadecane;(Z)-18-methylnonadec-9-ene;(Z,7R)-18-methylnonadec-9-en-7-ol;[(Z,7R)-18-methylnonadec-9-en-7-yl] 2-phenylacetate;2-methylnonane;2-methyloctane;2-methylpentane;2-methyltridecane;2-methylundecane;(6E)-2,6,8-trimethylnona-2,6-diene is sourced from PubChem (CID 162175446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).