acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene

C28H46O3 — CID 145122919

IUPACacetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)OC.C=CC.CC=O
InChIInChI=1S/C23H36O2.C3H6.C2H4O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(14-15-24-8)22(7)25-9;1-3-2;1-2-3/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;3H,1H2,2H3;2H,1H3/b13-12-,23-16-;;
InChIKeyROJNZNCOVVEKHN-BGWNIYMDSA-N
MW430.67 g/mol
LogP7.80
Rot. Bonds13

About acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene

acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene (PubChem CID 145122919) has the molecular formula C28H46O3 and a molecular weight of 430.67 g/mol. Its IUPAC name is acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene
PubChem CID145122919
Molecular FormulaC28H46O3
Molecular Weight430.67 g/mol
Exact Mass430.34
IUPAC Nameacetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)OC.C=CC.CC=O
InChIInChI=1S/C23H36O2.C3H6.C2H4O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(14-15-24-8)22(7)25-9;1-3-2;1-2-3/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;3H,1H2,2H3;2H,1H3/b13-12-,23-16-;;
InChIKeyROJNZNCOVVEKHN-BGWNIYMDSA-N
XLogP7.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 57.80
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

(3Z,7E,11Z)-8-fluoro-2-methoxy-4-(2-methoxyethyl)-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 145121886
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
ethane;formaldehyde;(3Z,7Z)-2-methoxy-3-(methoxymethyl)-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene
CID 145122167
ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal
CID 145122176
acetaldehyde;(4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene
CID 145122178
ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
CID 145122179
ethane;(3R)-3-[(3E,7Z)-9-methoxy-3-(methoxymethyl)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-3,5-dimethylcyclopentene;prop-2-enal
CID 145122207
(3Z,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;2-methylprop-2-enal
CID 145122268
(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
ethane;(3Z,7Z)-2-methoxy-7-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-2-enal
CID 145122327
[(3Z,7Z,11Z)-3-(1-methoxyethenyl)-8,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-3,7,11-trienyl] formate;2-methylprop-1-ene
CID 145122378

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene?
The IUPAC name of acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene (CID 145122919) is acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene?
The canonical SMILES for acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)OC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene?
The InChIKey is ROJNZNCOVVEKHN-BGWNIYMDSA-N. The full InChI is InChI=1S/C23H36O2.C3H6.C2H4O/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(14-15-24-8)22(7)25-9;1-3-2;1-2-3/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3;3H,1H2,2H3;2H,1H3/b13-12-,23-16-;;.
What are the key properties of acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene?
acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene has a molecular weight of 430.67 g/mol, XLogP of 7.80, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-1-ene is sourced from PubChem (CID 145122919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).