2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde

C12H20O2 — CID 11608097

IUPAC2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde
SMILESC=C/C=C\C(CCCCC)OCC=O
InChIInChI=1S/C12H20O2/c1-3-5-7-9-12(8-6-4-2)14-11-10-13/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3/b8-6-
InChIKeyIUVCPIAGPMJAEK-VURMDHGXSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds9

About 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde

2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde (PubChem CID 11608097) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde
PubChem CID11608097
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde
SMILESC=C/C=C\C(CCCCC)OCC=O
InChIInChI=1S/C12H20O2/c1-3-5-7-9-12(8-6-4-2)14-11-10-13/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3/b8-6-
InChIKeyIUVCPIAGPMJAEK-VURMDHGXSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde?
The IUPAC name of 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde (CID 11608097) is 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde is C=C/C=C\C(CCCCC)OCC=O.
What is the InChIKey of 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde?
The InChIKey is IUVCPIAGPMJAEK-VURMDHGXSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-7-9-12(8-6-4-2)14-11-10-13/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3/b8-6-.
What are the key properties of 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde?
2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-deca-1,3-dien-5-yl]oxyacetaldehyde is sourced from PubChem (CID 11608097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).