methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide

C24H44NO4- — CID 163116873

IUPACmethyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C[C@H](C)[N-]C)OC)OC)OC
InChIInChI=1S/C24H44NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12,14,20-24H,1,11,13,15-17H2,2-9H3/q-1/b18-12+,19-14+/t20-,21-,22-,23-,24-/m0/s1
InChIKeyIZYIYYRFZDIQFT-GAAPUSCWSA-N
MW410.62 g/mol
LogP5.47
Rot. Bonds17

About methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide

methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide (PubChem CID 163116873) has the molecular formula C24H44NO4- and a molecular weight of 410.62 g/mol. Its IUPAC name is methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide.

Molecular Properties

Compound Namemethyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide
PubChem CID163116873
Molecular FormulaC24H44NO4-
Molecular Weight410.62 g/mol
Exact Mass410.33
IUPAC Namemethyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C[C@H](C)[N-]C)OC)OC)OC
InChIInChI=1S/C24H44NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12,14,20-24H,1,11,13,15-17H2,2-9H3/q-1/b18-12+,19-14+/t20-,21-,22-,23-,24-/m0/s1
InChIKeyIZYIYYRFZDIQFT-GAAPUSCWSA-N
XLogP5.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide with MolForge

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Related Compounds

methanidyl-[(2E,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-2,4,6,16-tetraen-2-yl]azanium
CID 163141413
4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
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(4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
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4,5-dimethoxypent-1-ene
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2-methoxypent-4-en-1-ol
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(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
CID 139718586
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
5-methoxy-2-methyloct-2-enal
CID 90686162
16-isocyano-4,6,8,10-tetramethoxy-3-methyl-11-methylideneheptadeca-1,12,15-triene
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triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane
CID 72723811
5-methoxy-3-methylocta-3,7-dien-2-ol
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(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171

Frequently Asked Questions

What is the IUPAC name of methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide?
The IUPAC name of methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide (CID 163116873) is methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide.
What is the SMILES notation for methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide?
The canonical SMILES for methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide is C=CC[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C[C@H](C)[N-]C)OC)OC)OC.
What is the InChIKey of methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide?
The InChIKey is IZYIYYRFZDIQFT-GAAPUSCWSA-N. The full InChI is InChI=1S/C24H44NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12,14,20-24H,1,11,13,15-17H2,2-9H3/q-1/b18-12+,19-14+/t20-,21-,22-,23-,24-/m0/s1.
What are the key properties of methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide?
methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide has a molecular weight of 410.62 g/mol, XLogP of 5.47, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide is sourced from PubChem (CID 163116873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).