(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene

C31H50O4 — CID 145122778

IUPAC(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(=C\C(=C)C(C)/C=C\C(C)CC)CC.C=C(C)C.C=O
InChIInChI=1S/C26H40O3.C4H8.CH2O/c1-11-19(3)13-14-20(4)21(5)17-25(12-2)23(7)22(6)18-26(24(8)28-10)29-16-15-27-9;1-4(2)3;1-2/h13-14,17-20H,5-8,11-12,15-16H2,1-4,9-10H3;1H2,2-3H3;1H2/b14-13-,25-17-,26-18+;;
InChIKeyVWIIBLPAZOFYRL-PPJRKNNASA-N
MW486.74 g/mol
LogP8.33
Rot. Bonds15

About (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene

(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene (PubChem CID 145122778) has the molecular formula C31H50O4 and a molecular weight of 486.74 g/mol. Its IUPAC name is (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene.

Molecular Properties

Compound Name(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene
PubChem CID145122778
Molecular FormulaC31H50O4
Molecular Weight486.74 g/mol
Exact Mass486.37
IUPAC Name(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(=C\C(=C)C(C)/C=C\C(C)CC)CC.C=C(C)C.C=O
InChIInChI=1S/C26H40O3.C4H8.CH2O/c1-11-19(3)13-14-20(4)21(5)17-25(12-2)23(7)22(6)18-26(24(8)28-10)29-16-15-27-9;1-4(2)3;1-2/h13-14,17-20H,5-8,11-12,15-16H2,1-4,9-10H3;1H2,2-3H3;1H2/b14-13-,25-17-,26-18+;;
InChIKeyVWIIBLPAZOFYRL-PPJRKNNASA-N
XLogP8.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene with MolForge

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Related Compounds

6-Ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexa-1,3-diene
CID 70900159
(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene
CID 89151509
2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene
CID 89200555
4-(2-Methoxyethoxy)-1,7-dimethylcyclohepta-1,3,5-triene
CID 90755112
6-Methyl-2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 129152034
(7Z,9E,11E)-9-[(E)-2,3-dimethyl-4-methylidenehex-2-enoxy]-4-ethyl-3,12-dimethyltetradeca-1,2,7,9,11-pentaene
CID 129308690
(3E,5E)-5-[(2E,4Z)-2,5-dimethyl-6-methylideneocta-2,4-dienoxy]-4-methoxyocta-3,5,7-trienal
CID 143384193
ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane
CID 143869419
butane;(4Z,6E)-8-methoxy-4-methyl-7-[(2-methylpropan-2-yl)oxy]octa-1,4,6-triene
CID 144441829
2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylocta-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 144926359
2-[[(3E,5E)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,7-dimethylnona-3,5-dien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 144944458
2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene
CID 144944474

Frequently Asked Questions

What is the IUPAC name of (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene?
The IUPAC name of (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene (CID 145122778) is (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene.
What is the SMILES notation for (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene?
The canonical SMILES for (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene is C=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(=C\C(=C)C(C)/C=C\C(C)CC)CC.C=C(C)C.C=O.
What is the InChIKey of (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene?
The InChIKey is VWIIBLPAZOFYRL-PPJRKNNASA-N. The full InChI is InChI=1S/C26H40O3.C4H8.CH2O/c1-11-19(3)13-14-20(4)21(5)17-25(12-2)23(7)22(6)18-26(24(8)28-10)29-16-15-27-9;1-4(2)3;1-2/h13-14,17-20H,5-8,11-12,15-16H2,1-4,9-10H3;1H2,2-3H3;1H2/b14-13-,25-17-,26-18+;;.
What are the key properties of (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene?
(3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene has a molecular weight of 486.74 g/mol, XLogP of 8.33, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;2-methylprop-1-ene is sourced from PubChem (CID 145122778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).