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

C19H32O2 — CID 143832921

IUPACethane;2-[(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.CC.CC
InChIInChI=1S/C15H20O2.2C2H6/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16;2*1-2/h5-6,8-11H,2,4,7,12H2,1,3H3;2*1-2H3/b8-5-,14-10+,15-9+;;
InChIKeyUEKVNWFNDDNBSK-CHCLGTIXSA-N
MW292.46 g/mol
LogP5.79
Rot. Bonds8

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

ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde (PubChem CID 143832921) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde.

Molecular Properties

Compound Nameethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
PubChem CID143832921
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Nameethane;2-[(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.CC.CC
InChIInChI=1S/C15H20O2.2C2H6/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16;2*1-2/h5-6,8-11H,2,4,7,12H2,1,3H3;2*1-2H3/b8-5-,14-10+,15-9+;;
InChIKeyUEKVNWFNDDNBSK-CHCLGTIXSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.79
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

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
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
acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122126
acetaldehyde;(3Z,7Z,11E)-8-ethyl-12-(2-methoxyethoxy)-2-methyl-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122212
(3Z,5E)-4-ethenyl-3-methoxy-5-[3-(2-methoxyethoxy)prop-1-en-2-yl]-8-methylnona-3,5,7-trien-2-one
CID 174178830
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
2-[(3E,6E)-7-methylnona-1,3,6-trien-3-yl]oxyacetaldehyde
CID 143346785
2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde
CID 143832922

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The IUPAC name of ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde (CID 143832921) is ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde.
What is the SMILES notation for ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The canonical SMILES for ethane;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.CC.CC.
What is the InChIKey of ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
The InChIKey is UEKVNWFNDDNBSK-CHCLGTIXSA-N. The full InChI is InChI=1S/C15H20O2.2C2H6/c1-5-8-10-14(7-3)13(4)15(9-6-2)17-12-11-16;2*1-2/h5-6,8-11H,2,4,7,12H2,1,3H3;2*1-2H3/b8-5-,14-10+,15-9+;;.
What are the key properties of ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde?
ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde has a molecular weight of 292.46 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]oxyacetaldehyde is sourced from PubChem (CID 143832921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).