ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate

C19H34O4 — CID 134979779

IUPACethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate
SMILESCCOC(=O)CCCCC/C=C(\C)CCCOC1CCCCO1
InChIInChI=1S/C19H34O4/c1-3-21-18(20)13-7-5-4-6-11-17(2)12-10-16-23-19-14-8-9-15-22-19/h11,19H,3-10,12-16H2,1-2H3/b17-11+
InChIKeyCOXRKWRBOHDUQO-GZTJUZNOSA-N
MW326.48 g/mol
LogP4.77
Rot. Bonds12

About ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate

ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate (PubChem CID 134979779) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate.

Molecular Properties

Compound Nameethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate
PubChem CID134979779
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Nameethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate
SMILESCCOC(=O)CCCCC/C=C(\C)CCCOC1CCCCO1
InChIInChI=1S/C19H34O4/c1-3-21-18(20)13-7-5-4-6-11-17(2)12-10-16-23-19-14-8-9-15-22-19/h11,19H,3-10,12-16H2,1-2H3/b17-11+
InChIKeyCOXRKWRBOHDUQO-GZTJUZNOSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butane dioleate
CID 129725036
ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
CID 102355071
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
(7z,11z)-18-(Tetrahydro-2h-pyran-2-yloxy)octadeca7,11-dienoic acid
CID 171904922
methyl (E)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 101110845
methyl (Z)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 102271112
Tetrahydropyran-2-yl Z,Z-8,10-dodecadienoate
CID 5367913
Tetrahydropyran Z-10-dodecenoate
CID 5367971
methyl (Z)-18-(oxan-2-yloxy)octadec-9-enoate
CID 11502142
methyl (Z,3S)-3-(oxan-2-yloxy)icos-11-enoate
CID 13817946
1-butoxypropyl (E)-octadec-9-enoate
CID 20514358
1-methoxypropyl (E)-octadec-9-enoate
CID 20514360

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate?
The IUPAC name of ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate (CID 134979779) is ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate.
What is the SMILES notation for ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate?
The canonical SMILES for ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate is CCOC(=O)CCCCC/C=C(\C)CCCOC1CCCCO1.
What is the InChIKey of ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate?
The InChIKey is COXRKWRBOHDUQO-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H34O4/c1-3-21-18(20)13-7-5-4-6-11-17(2)12-10-16-23-19-14-8-9-15-22-19/h11,19H,3-10,12-16H2,1-2H3/b17-11+.
What are the key properties of ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate?
ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate has a molecular weight of 326.48 g/mol, XLogP of 4.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate is sourced from PubChem (CID 134979779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).