acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene

C29H48O2 — CID 145122516

IUPACacetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)CC.C=CC.CC=O
InChIInChI=1S/C24H38O.C3H6.C2H4O/c1-10-19(4)24(15-16-25-9)17-23(8)22(7)14-13-21(6)20(5)12-11-18(2)3;1-3-2;1-2-3/h13-14,17-18,20H,4,6-8,10-12,15-16H2,1-3,5,9H3;3H,1H2,2H3;2H,1H3/b14-13-,24-17-;;
InChIKeyWXIQUVKVLJJUEE-XRNRKNEYSA-N
MW428.70 g/mol
LogP8.61
Rot. Bonds13

About acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene

acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene (PubChem CID 145122516) has the molecular formula C29H48O2 and a molecular weight of 428.70 g/mol. Its IUPAC name is acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
PubChem CID145122516
Molecular FormulaC29H48O2
Molecular Weight428.70 g/mol
Exact Mass428.37
IUPAC Nameacetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)CC.C=CC.CC=O
InChIInChI=1S/C24H38O.C3H6.C2H4O/c1-10-19(4)24(15-16-25-9)17-23(8)22(7)14-13-21(6)20(5)12-11-18(2)3;1-3-2;1-2-3/h13-14,17-18,20H,4,6-8,10-12,15-16H2,1-3,5,9H3;3H,1H2,2H3;2H,1H3/b14-13-,24-17-;;
InChIKeyWXIQUVKVLJJUEE-XRNRKNEYSA-N
XLogP8.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The IUPAC name of acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene (CID 145122516) is acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The canonical SMILES for acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/CCOC)C(=C)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The InChIKey is WXIQUVKVLJJUEE-XRNRKNEYSA-N. The full InChI is InChI=1S/C24H38O.C3H6.C2H4O/c1-10-19(4)24(15-16-25-9)17-23(8)22(7)14-13-21(6)20(5)12-11-18(2)3;1-3-2;1-2-3/h13-14,17-18,20H,4,6-8,10-12,15-16H2,1-3,5,9H3;3H,1H2,2H3;2H,1H3/b14-13-,24-17-;;.
What are the key properties of acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene has a molecular weight of 428.70 g/mol, XLogP of 8.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(4Z,8Z)-4-(2-methoxyethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene is sourced from PubChem (CID 145122516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).