acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

C24H38O3 — CID 145122105

IUPACacetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C.C=C(/C=C(/COC)C(=C)C(=C)/C=C\C(=C)OC)CC.C=CC.CC=O
InChIInChI=1S/C17H24O2.C3H6.C2H4O.C2H4/c1-8-13(2)11-17(12-18-6)16(5)14(3)9-10-15(4)19-7;1-3-2;1-2-3;1-2/h9-11H,2-5,8,12H2,1,6-7H3;3H,1H2,2H3;2H,1H3;1-2H2/b10-9-,17-11-;;;
InChIKeyXHDJBRABKFSELV-HFJCMJIFSA-N
MW374.57 g/mol
LogP6.55
Rot. Bonds9

About acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (PubChem CID 145122105) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
PubChem CID145122105
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Nameacetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C.C=C(/C=C(/COC)C(=C)C(=C)/C=C\C(=C)OC)CC.C=CC.CC=O
InChIInChI=1S/C17H24O2.C3H6.C2H4O.C2H4/c1-8-13(2)11-17(12-18-6)16(5)14(3)9-10-15(4)19-7;1-3-2;1-2-3;1-2/h9-11H,2-5,8,12H2,1,6-7H3;3H,1H2,2H3;2H,1H3;1-2H2/b10-9-,17-11-;;;
InChIKeyXHDJBRABKFSELV-HFJCMJIFSA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
CID 145122182
(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal
CID 122526993
(3E,5Z)-6-ethenyl-9-[(3Z,4Z,6E)-3-ethylidene-6-[(2-methylpropan-2-yl)oxy]octa-4,6-dienoxy]-3-[(2-methylpropan-2-yl)oxy]nona-1,3,5-triene
CID 129299153
acetaldehyde;ethane;(3E,5Z)-4-methoxy-5-methylhepta-1,3,5-triene;prop-1-ene
CID 142062098
ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
CID 143832921
formaldehyde;(4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene
CID 145121951
ethane;(3Z,7Z,11Z)-2-methoxy-7-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7,11-tetraene;prop-2-enal
CID 145122097
acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane
CID 145122124
acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122126
ethane;formaldehyde;(3Z,7E)-7-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122143
ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122158
formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene
CID 145122161

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The IUPAC name of acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (CID 145122105) is acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.
What is the SMILES notation for acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The canonical SMILES for acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is C=C.C=C(/C=C(/COC)C(=C)C(=C)/C=C\C(=C)OC)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The InChIKey is XHDJBRABKFSELV-HFJCMJIFSA-N. The full InChI is InChI=1S/C17H24O2.C3H6.C2H4O.C2H4/c1-8-13(2)11-17(12-18-6)16(5)14(3)9-10-15(4)19-7;1-3-2;1-2-3;1-2/h9-11H,2-5,8,12H2,1,6-7H3;3H,1H2,2H3;2H,1H3;1-2H2/b10-9-,17-11-;;;.
What are the key properties of acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene has a molecular weight of 374.57 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is sourced from PubChem (CID 145122105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).