(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene

C37H58O3 — CID 145122701

IUPAC(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O
InChIInChI=1S/C32H48O2.C4H8.CH2O/c1-13-24(5)32(34-20-19-33-12)22-29(10)30(11)31(14-2)21-28(9)27(8)18-17-26(7)25(6)16-15-23(3)4;1-4(2)3;1-2/h17-18,21-23,25H,5,7-11,13-16,19-20H2,1-4,6,12H3;1H2,2-3H3;1H2/b18-17-,31-21-,32-22+;;
InChIKeyVAXJPWXTFGCDRC-JEQNWDGYSA-N
MW550.87 g/mol
LogP10.64
Rot. Bonds18

About (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene

(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene (PubChem CID 145122701) has the molecular formula C37H58O3 and a molecular weight of 550.87 g/mol. Its IUPAC name is (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene.

Molecular Properties

Compound Name(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene
PubChem CID145122701
Molecular FormulaC37H58O3
Molecular Weight550.87 g/mol
Exact Mass550.44
IUPAC Name(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O
InChIInChI=1S/C32H48O2.C4H8.CH2O/c1-13-24(5)32(34-20-19-33-12)22-29(10)30(11)31(14-2)21-28(9)27(8)18-17-26(7)25(6)16-15-23(3)4;1-4(2)3;1-2/h17-18,21-23,25H,5,7-11,13-16,19-20H2,1-4,6,12H3;1H2,2-3H3;1H2/b18-17-,31-21-,32-22+;;
InChIKeyVAXJPWXTFGCDRC-JEQNWDGYSA-N
XLogP10.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.87
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene with MolForge

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Related Compounds

(3E,7E,11Z)-8-fluoro-2-methoxy-3-(2-methoxyethoxy)-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 145121969
(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122704
2-[(7E,11E,15Z)-12-fluoro-2,5-dimethyl-6,9,10,13,14,17-hexamethylidenenonadeca-7,11,15-trien-8-yl]oxyethyl acetate
CID 145122851
6-Methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 129152034
ethane;[(3E,7Z)-7-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-3-yl] formate;prop-1-ene
CID 145121916
ethane;(3E,7E,11Z)-8-fluoro-2-methoxy-3-(2-methoxyethoxy)-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene
CID 145121968
formaldehyde;(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidene-15-(2-methylpropoxy)hexadeca-4,8-diene;2-methylprop-1-ene
CID 145121994
ethane;(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13,14,17-tetramethyl-5,6,9-trimethylideneoctadeca-1,3,7-triene;formaldehyde;prop-1-ene
CID 145122092
ethane;(3E,7E)-7-fluoro-2,3-dimethoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;formaldehyde;prop-1-ene
CID 145122118
acetaldehyde;(3R)-3-[(3Z,7E)-4-ethyl-8-(2-methoxyethoxy)-5,6,9-trimethylideneundeca-1,3,7-trien-2-yl]-3,5-dimethylcyclopentene;prop-1-ene
CID 145122139
formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene
CID 145122145
ethane;formaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene
CID 145122167

Frequently Asked Questions

What is the IUPAC name of (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene?
The IUPAC name of (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene (CID 145122701) is (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene.
What is the SMILES notation for (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene?
The canonical SMILES for (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C(/OCCOC)C(=C)CC.C=C(C)C.C=O.
What is the InChIKey of (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene?
The InChIKey is VAXJPWXTFGCDRC-JEQNWDGYSA-N. The full InChI is InChI=1S/C32H48O2.C4H8.CH2O/c1-13-24(5)32(34-20-19-33-12)22-29(10)30(11)31(14-2)21-28(9)27(8)18-17-26(7)25(6)16-15-23(3)4;1-4(2)3;1-2/h17-18,21-23,25H,5,7-11,13-16,19-20H2,1-4,6,12H3;1H2,2-3H3;1H2/b18-17-,31-21-,32-22+;;.
What are the key properties of (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene?
(4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene has a molecular weight of 550.87 g/mol, XLogP of 10.64, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8Z,12Z)-8-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;formaldehyde;2-methylprop-1-ene is sourced from PubChem (CID 145122701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).