2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde

C15H20O2 — CID 143832922

IUPAC2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
SMILESC=C/C=C(/OCC=O)C(=C)/C(=C/C=C\C)CC
InChIInChI=1S/C15H20O2/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16/h5-6,8-11H,2,4,7,12H2,1,3H3/b8-5-,14-10+,15-9+
InChIKeyALUAAABZRIOMMS-SEIBWVHVSA-N
MW232.32 g/mol
LogP3.74
Rot. Bonds8

About 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde

2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde (PubChem CID 143832922) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
PubChem CID143832922
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
SMILESC=C/C=C(/OCC=O)C(=C)/C(=C/C=C\C)CC
InChIInChI=1S/C15H20O2/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16/h5-6,8-11H,2,4,7,12H2,1,3H3/b8-5-,14-10+,15-9+
InChIKeyALUAAABZRIOMMS-SEIBWVHVSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.74
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-carbaldehyde
CID 57479876
1,4-Dipentoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88337669
2-[(5E,7Z)-6-methoxy-4-methylidenedodeca-5,7-dien-3-yl]oxyacetaldehyde
CID 139566951
6-pentoxy-3H-isochromene-1-carbaldehyde
CID 141005116
5,6-bis(ethenyl)-4H-pyran-3-one;ethane
CID 143059986
ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
CID 143832921
2-[(3E)-2-cyclohexa-1,3-dien-1-ylhexa-1,3,5-trien-3-yl]oxyacetaldehyde;ethane
CID 143832927
acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122105
2-[(2E,4Z,5E)-4-ethylidenenona-2,5,8-trien-3-yl]oxypentanal
CID 142024411
2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]oxyacetaldehyde
CID 143149644
(5E)-5-ethoxy-4-methylideneocta-5,7-dienal
CID 143274841
2-[(3E,6E)-7-methylnona-1,3,6-trien-3-yl]oxyacetaldehyde
CID 143346785

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The IUPAC name of 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde (CID 143832922) is 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde is C=C/C=C(/OCC=O)C(=C)/C(=C/C=C\C)CC.
What is the InChIKey of 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The InChIKey is ALUAAABZRIOMMS-SEIBWVHVSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16/h5-6,8-11H,2,4,7,12H2,1,3H3/b8-5-,14-10+,15-9+.
What are the key properties of 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde is sourced from PubChem (CID 143832922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).