acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene

C23H40O3 — CID 145122611

IUPACacetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene
SMILESC=C(C)/C=C(/OCCOC)C(=C)/C(C)=C/CC(C)CC.C=CC.CC=O
InChIInChI=1S/C18H30O2.C3H6.C2H4O/c1-8-15(4)9-10-16(5)17(6)18(13-14(2)3)20-12-11-19-7;1-3-2;1-2-3/h10,13,15H,2,6,8-9,11-12H2,1,3-5,7H3;3H,1H2,2H3;2H,1H3/b16-10+,18-13+;;
InChIKeyVZPFLRYEOBOWCC-OGZSKABYSA-N
MW364.57 g/mol
LogP6.45
Rot. Bonds10

About acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene

acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene (PubChem CID 145122611) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene
PubChem CID145122611
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Nameacetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene
SMILESC=C(C)/C=C(/OCCOC)C(=C)/C(C)=C/CC(C)CC.C=CC.CC=O
InChIInChI=1S/C18H30O2.C3H6.C2H4O/c1-8-15(4)9-10-16(5)17(6)18(13-14(2)3)20-12-11-19-7;1-3-2;1-2-3/h10,13,15H,2,6,8-9,11-12H2,1,3-5,7H3;3H,1H2,2H3;2H,1H3/b16-10+,18-13+;;
InChIKeyVZPFLRYEOBOWCC-OGZSKABYSA-N
XLogP6.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 56.45
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

ethane;(4E,6E)-6-(2-ethylbutoxy)-5-methylnona-1,4,6-triene;propan-2-one
CID 141875840
(3E,5E)-5-[(2E,4Z)-2,5-dimethyl-6-methylideneocta-2,4-dienoxy]-4-methoxyocta-3,5,7-trienal
CID 143384193
(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;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122126
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
(4E,8Z)-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;2-methylprop-2-enal
CID 145122197
acetaldehyde;(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene;prop-1-ene
CID 145122199
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
(4Z,8E,12Z)-9-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;prop-2-enal
CID 145122301
(3E,7Z,11Z)-2-methoxy-3-(2-methoxyethoxy)-7,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;2-methylprop-2-enal
CID 145122350
(4Z,8E,12Z)-9-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene;2-methylprop-2-enal
CID 145122415
ethene;(4E,8Z,12Z)-9-ethyl-4-(2-methoxyethoxy)-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;prop-1-ene
CID 145122453

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene?
The IUPAC name of acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene (CID 145122611) is acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene?
The canonical SMILES for acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene is C=C(C)/C=C(/OCCOC)C(=C)/C(C)=C/CC(C)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene?
The InChIKey is VZPFLRYEOBOWCC-OGZSKABYSA-N. The full InChI is InChI=1S/C18H30O2.C3H6.C2H4O/c1-8-15(4)9-10-16(5)17(6)18(13-14(2)3)20-12-11-19-7;1-3-2;1-2-3/h10,13,15H,2,6,8-9,11-12H2,1,3-5,7H3;3H,1H2,2H3;2H,1H3/b16-10+,18-13+;;.
What are the key properties of acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene?
acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene has a molecular weight of 364.57 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3E,6E)-4-(2-methoxyethoxy)-2,6,9-trimethyl-5-methylideneundeca-1,3,6-triene;prop-1-ene is sourced from PubChem (CID 145122611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).