15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal

C20H26O2 — CID 76773742

IUPAC15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal
SMILESCOC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H26O2/c1-17(12-8-14-19(3)16-21)10-6-7-11-18(2)13-9-15-20(4)22-5/h6-16H,1-5H3
InChIKeyNVIUFDDUDATNPI-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.24
Rot. Bonds8

About 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal

15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal (PubChem CID 76773742) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal.

Molecular Properties

Compound Name15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal
PubChem CID76773742
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal
SMILESCOC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H26O2/c1-17(12-8-14-19(3)16-21)10-6-7-11-18(2)13-9-15-20(4)22-5/h6-16H,1-5H3
InChIKeyNVIUFDDUDATNPI-UHFFFAOYSA-N
XLogP5.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal?
The IUPAC name of 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal (CID 76773742) is 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal.
What is the SMILES notation for 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal?
The canonical SMILES for 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal is COC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O.
What is the InChIKey of 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal?
The InChIKey is NVIUFDDUDATNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-17(12-8-14-19(3)16-21)10-6-7-11-18(2)13-9-15-20(4)22-5/h6-16H,1-5H3.
What are the key properties of 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal?
15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal has a molecular weight of 298.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methoxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal is sourced from PubChem (CID 76773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).