methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate

C15H24O4 — CID 134972652

IUPACmethyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
SMILESCOC(=O)/C=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C15H24O4/c1-13(7-3-4-8-14(16)17-2)10-12-19-15-9-5-6-11-18-15/h4,8,10,15H,3,5-7,9,11-12H2,1-2H3/b8-4+,13-10+
InChIKeyDCGLMTSISSLNHB-CHCBSOBFSA-N
MW268.35 g/mol
LogP2.99
Rot. Bonds7

About methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate

methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate (PubChem CID 134972652) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
PubChem CID134972652
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
SMILESCOC(=O)/C=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C15H24O4/c1-13(7-3-4-8-14(16)17-2)10-12-19-15-9-5-6-11-18-15/h4,8,10,15H,3,5-7,9,11-12H2,1-2H3/b8-4+,13-10+
InChIKeyDCGLMTSISSLNHB-CHCBSOBFSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate with MolForge

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Related Compounds

Aspergilsmin F
CID 156581971
Aspergilsmin G
CID 156581972
4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
CID 162885463
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
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
methyl 4-methyl-3-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-2-pentenoate
CID 86690515
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
ethyl (Z)-2-fluoro-6-(oxan-2-yloxy)hex-2-enoate
CID 10825238
ethyl (E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-enoate
CID 171813164
ethyl (E)-7-methyl-8-tetrahydropyran-2-yloxy-oct-6-en-2-ynoate
CID 5387846

Frequently Asked Questions

What is the IUPAC name of methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate?
The IUPAC name of methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate (CID 134972652) is methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate.
What is the SMILES notation for methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate?
The canonical SMILES for methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate is COC(=O)/C=C/CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate?
The InChIKey is DCGLMTSISSLNHB-CHCBSOBFSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(7-3-4-8-14(16)17-2)10-12-19-15-9-5-6-11-18-15/h4,8,10,15H,3,5-7,9,11-12H2,1-2H3/b8-4+,13-10+.
What are the key properties of methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate?
methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate has a molecular weight of 268.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate is sourced from PubChem (CID 134972652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).