acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene

C22H33FO3 — CID 145122775

IUPACacetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC.C=CC.CC=O
InChIInChI=1S/C17H23FO2.C3H6.C2H4O/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7;1-3-2;1-2-3/h10-11H,1,3-5,8-9H2,2,6-7H3;3H,1H2,2H3;2H,1H3/b16-11-,17-10+;;
InChIKeyARZYRWXXHWZGKR-HPPQASNISA-N
MW364.50 g/mol
LogP6.05
Rot. Bonds9

About acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene

acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene (PubChem CID 145122775) has the molecular formula C22H33FO3 and a molecular weight of 364.50 g/mol. Its IUPAC name is acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene
PubChem CID145122775
Molecular FormulaC22H33FO3
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Nameacetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC.C=CC.CC=O
InChIInChI=1S/C17H23FO2.C3H6.C2H4O/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7;1-3-2;1-2-3/h10-11H,1,3-5,8-9H2,2,6-7H3;3H,1H2,2H3;2H,1H3/b16-11-,17-10+;;
InChIKeyARZYRWXXHWZGKR-HPPQASNISA-N
XLogP6.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.05
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

(2E)-2-[(2E,3Z)-3-[(E)-but-2-enylidene]-2-(fluoromethylidene)oxepan-4-ylidene]acetaldehyde
CID 143930136
(2E,4E,6E,8Z)-4-ethoxy-5-[(E)-1-ethoxybut-2-en-2-yl]-10-fluoro-6-prop-2-enylidenedeca-2,4,8-triene
CID 144334413
(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
CID 145122182
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145122261
(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
CID 145122388
(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145122776
(3R)-3-[(3E,7Z)-4-fluoro-9-methoxy-7-(2-methoxyethyl)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-3,5-dimethylcyclopentene;formaldehyde;prop-1-ene
CID 145121898
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;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
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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene?
The IUPAC name of acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene (CID 145122775) is acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene?
The canonical SMILES for acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene is C=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene?
The InChIKey is ARZYRWXXHWZGKR-HPPQASNISA-N. The full InChI is InChI=1S/C17H23FO2.C3H6.C2H4O/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7;1-3-2;1-2-3/h10-11H,1,3-5,8-9H2,2,6-7H3;3H,1H2,2H3;2H,1H3/b16-11-,17-10+;;.
What are the key properties of acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene?
acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene has a molecular weight of 364.50 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene is sourced from PubChem (CID 145122775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).