(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal

C20H30O2 — CID 5367754

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O
InChIInChI=1S/C20H30O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-14H,6-7,9-10,15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKeyGZUWIUZECLXLRW-GDVLXBNMSA-N
MW302.46 g/mol
LogP5.51
Rot. Bonds10

About (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal

(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal (PubChem CID 5367754) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal
PubChem CID5367754
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O
InChIInChI=1S/C20H30O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-14H,6-7,9-10,15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKeyGZUWIUZECLXLRW-GDVLXBNMSA-N
XLogP5.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal (CID 5367754) is (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal is CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal?
The InChIKey is GZUWIUZECLXLRW-GDVLXBNMSA-N. The full InChI is InChI=1S/C20H30O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-14H,6-7,9-10,15H2,1-5H3/b17-8+,18-12+,19-11+.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal?
(2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal has a molecular weight of 302.46 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal is sourced from PubChem (CID 5367754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).