ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate

C17H24O4 — CID 11483205

IUPACethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
SMILESCCOC(=O)/C=C/C=C/C=C/C=C/COC1CCCCO1
InChIInChI=1S/C17H24O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h3-8,10,12,17H,2,9,11,13-15H2,1H3/b5-3+,6-4+,10-7+,12-8+
InChIKeyRHJXQQSPPKVPRC-BRUOKPNFSA-N
MW292.38 g/mol
LogP3.32
Rot. Bonds8

About ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate

ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate (PubChem CID 11483205) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate.

Molecular Properties

Compound Nameethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
PubChem CID11483205
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
SMILESCCOC(=O)/C=C/C=C/C=C/C=C/COC1CCCCO1
InChIInChI=1S/C17H24O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h3-8,10,12,17H,2,9,11,13-15H2,1H3/b5-3+,6-4+,10-7+,12-8+
InChIKeyRHJXQQSPPKVPRC-BRUOKPNFSA-N
XLogP3.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-(oxan-2-yloxy)-3-tributylstannylbut-2-enoate
CID 11081459
methyl (2E,4E)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134902146
methyl (Z,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 59560731
ethyl (2Z,4E)-6,6-diethoxyhexa-2,4-dienoate
CID 89358092
methyl (2E,4Z)-3-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 5469965
ethyl (Z)-3-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]hept-2-enoate
CID 5469969
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
ethyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11107104
methyl (E)-6-(oxan-2-yloxy)hex-2-enoate
CID 14462366
ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate
CID 134859271
methyl (2E,4Z)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134993482
methyl (Z)-6-(oxan-2-yloxy)hex-2-enoate
CID 135039207

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate?
The IUPAC name of ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate (CID 11483205) is ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate.
What is the SMILES notation for ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate?
The canonical SMILES for ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate is CCOC(=O)/C=C/C=C/C=C/C=C/COC1CCCCO1.
What is the InChIKey of ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate?
The InChIKey is RHJXQQSPPKVPRC-BRUOKPNFSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h3-8,10,12,17H,2,9,11,13-15H2,1H3/b5-3+,6-4+,10-7+,12-8+.
What are the key properties of ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate?
ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate has a molecular weight of 292.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate is sourced from PubChem (CID 11483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).