acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

C24H38O3 — CID 145122126

IUPACacetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C(C)/C=C(/C)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.CC=O
InChIInChI=1S/C19H28O2.C3H6.C2H4O/c1-9-15(4)19(21-11-10-20-8)13-17(6)18(7)16(5)12-14(2)3;1-3-2;1-2-3/h12-13H,2,4,6-7,9-11H2,1,3,5,8H3;3H,1H2,2H3;2H,1H3/b16-12-,19-13+;;
InChIKeyIZPACYBHXQFBIY-HSGOLYAZSA-N
MW374.57 g/mol
LogP6.53
Rot. Bonds10

About acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (PubChem CID 145122126) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
PubChem CID145122126
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Nameacetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C(C)/C=C(/C)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.CC=O
InChIInChI=1S/C19H28O2.C3H6.C2H4O/c1-9-15(4)19(21-11-10-20-8)13-17(6)18(7)16(5)12-14(2)3;1-3-2;1-2-3/h12-13H,2,4,6-7,9-11H2,1,3,5,8H3;3H,1H2,2H3;2H,1H3/b16-12-,19-13+;;
InChIKeyIZPACYBHXQFBIY-HSGOLYAZSA-N
XLogP6.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.53
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;ethane;(3E,5Z)-4-methoxy-5-methylhepta-1,3,5-triene;prop-1-ene
CID 142062098
(3E,5E)-5-[(2E,4Z)-2,5-dimethyl-6-methylideneocta-2,4-dienoxy]-4-methoxyocta-3,5,7-trienal
CID 143384193
ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
CID 143832921
4-[(2E,4Z)-2-ethyl-5-prop-1-en-2-ylocta-2,4-dienoxy]cyclohepta-2,4,6-triene-1-carbaldehyde
CID 143859011
ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene
CID 145121908
(3Z,7E)-2-methyl-5,6,9-trimethylidene-8-[2-(2-methylprop-2-enoxy)ethoxy]undeca-1,3,7-triene
CID 145121924
(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene;2-methylprop-2-enal
CID 145121953
acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122105
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;(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
2-[(3E,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-trien-4-yl]oxyethyl acetate;prop-1-ene
CID 145122186
acetaldehyde;(3Z,7Z,11E)-8-ethyl-12-(2-methoxyethoxy)-2-methyl-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122212

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The IUPAC name of acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (CID 145122126) is acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The canonical SMILES for acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is C=C(C)/C=C(/C)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The InChIKey is IZPACYBHXQFBIY-HSGOLYAZSA-N. The full InChI is InChI=1S/C19H28O2.C3H6.C2H4O/c1-9-15(4)19(21-11-10-20-8)13-17(6)18(7)16(5)12-14(2)3;1-3-2;1-2-3/h12-13H,2,4,6-7,9-11H2,1,3,5,8H3;3H,1H2,2H3;2H,1H3/b16-12-,19-13+;;.
What are the key properties of acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene has a molecular weight of 374.57 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is sourced from PubChem (CID 145122126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).