(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal

C26H46O2 — CID 145122491

IUPAC(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal
SMILESC=C(CC)/C(=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)COC.C=CC=O
InChIInChI=1S/C23H42O.C3H4O/c1-10-18(4)23(16-24-9)15-22(8)21(7)14-13-20(6)19(5)12-11-17(2)3;1-2-3-4/h15,17,19-21H,4,8,10-14,16H2,1-3,5-7,9H3;2-3H,1H2/b23-15-;
InChIKeyAQLUFGZIADQXAZ-HNALGXGESA-N
MW390.65 g/mol
LogP7.58
Rot. Bonds14

About (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal

(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal (PubChem CID 145122491) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal.

Molecular Properties

Compound Name(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal
PubChem CID145122491
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal
SMILESC=C(CC)/C(=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)COC.C=CC=O
InChIInChI=1S/C23H42O.C3H4O/c1-10-18(4)23(16-24-9)15-22(8)21(7)14-13-20(6)19(5)12-11-17(2)3;1-2-3-4/h15,17,19-21H,4,8,10-14,16H2,1-3,5-7,9H3;2-3H,1H2/b23-15-;
InChIKeyAQLUFGZIADQXAZ-HNALGXGESA-N
XLogP7.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal?
The IUPAC name of (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal (CID 145122491) is (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal.
What is the SMILES notation for (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal?
The canonical SMILES for (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal is C=C(CC)/C(=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)COC.C=CC=O.
What is the InChIKey of (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal?
The InChIKey is AQLUFGZIADQXAZ-HNALGXGESA-N. The full InChI is InChI=1S/C23H42O.C3H4O/c1-10-18(4)23(16-24-9)15-22(8)21(7)14-13-20(6)19(5)12-11-17(2)3;1-2-3-4/h15,17,19-21H,4,8,10-14,16H2,1-3,5-7,9H3;2-3H,1H2/b23-15-;.
What are the key properties of (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal?
(E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal has a molecular weight of 390.65 g/mol, XLogP of 7.58, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methoxymethyl)-7,10,11,14-tetramethyl-3,6-dimethylidenepentadec-4-ene;prop-2-enal is sourced from PubChem (CID 145122491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).