2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde

C16H26O3 — CID 139566951

IUPAC2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde
SMILESC=C(/C=C(\C=C/CCCC)OC)C(CC)OCC=O
InChIInChI=1S/C16H26O3/c1-5-7-8-9-10-15(18-4)13-14(3)16(6-2)19-12-11-17/h9-11,13,16H,3,5-8,12H2,1-2,4H3/b10-9-,15-13+
InChIKeyFUNDSZLLDFJBGS-JZZUDSPYSA-N
MW266.38 g/mol
LogP3.81
Rot. Bonds11

About 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde

2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde (PubChem CID 139566951) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde
PubChem CID139566951
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde
SMILESC=C(/C=C(\C=C/CCCC)OC)C(CC)OCC=O
InChIInChI=1S/C16H26O3/c1-5-7-8-9-10-15(18-4)13-14(3)16(6-2)19-12-11-17/h9-11,13,16H,3,5-8,12H2,1-2,4H3/b10-9-,15-13+
InChIKeyFUNDSZLLDFJBGS-JZZUDSPYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.81
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde?
The IUPAC name of 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde (CID 139566951) is 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde is C=C(/C=C(\C=C/CCCC)OC)C(CC)OCC=O.
What is the InChIKey of 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde?
The InChIKey is FUNDSZLLDFJBGS-JZZUDSPYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-7-8-9-10-15(18-4)13-14(3)16(6-2)19-12-11-17/h9-11,13,16H,3,5-8,12H2,1-2,4H3/b10-9-,15-13+.
What are the key properties of 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde?
2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde has a molecular weight of 266.38 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde is sourced from PubChem (CID 139566951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).