methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate

C16H26O4 — CID 131863601

IUPACmethyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate
SMILESCOC(=O)CCCC/C=C\C/C=C/CC1OCCCO1
InChIInChI=1S/C16H26O4/c1-18-15(17)11-8-6-4-2-3-5-7-9-12-16-19-13-10-14-20-16/h2-3,7,9,16H,4-6,8,10-14H2,1H3/b3-2-,9-7+
InChIKeyLXYDHHJTBVPXRU-ZISRPPKGSA-N
MW282.38 g/mol
LogP3.38
Rot. Bonds9

About methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate

methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate (PubChem CID 131863601) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate.

Molecular Properties

Compound Namemethyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate
PubChem CID131863601
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namemethyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate
SMILESCOC(=O)CCCC/C=C\C/C=C/CC1OCCCO1
InChIInChI=1S/C16H26O4/c1-18-15(17)11-8-6-4-2-3-5-7-9-12-16-19-13-10-14-20-16/h2-3,7,9,16H,4-6,8,10-14H2,1H3/b3-2-,9-7+
InChIKeyLXYDHHJTBVPXRU-ZISRPPKGSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.38
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'}

Analyze methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate with MolForge

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Related Compounds

methyl 14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoate
CID 78382159
methyl dodeca-6,9-dienoate
CID 123311078
methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
CID 66558829
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl hexadeca-9,12-dienoate
CID 549033
methyl icosa-8,11,14-trienoate
CID 519411
methyl octadeca-6,9-dienoate
CID 549027
methyl (7Z,10Z,13Z)-16-hydroxyhexadeca-7,10,13-trienoate
CID 66558754
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673

Frequently Asked Questions

What is the IUPAC name of methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate?
The IUPAC name of methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate (CID 131863601) is methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate.
What is the SMILES notation for methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate?
The canonical SMILES for methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate is COC(=O)CCCC/C=C\C/C=C/CC1OCCCO1.
What is the InChIKey of methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate?
The InChIKey is LXYDHHJTBVPXRU-ZISRPPKGSA-N. The full InChI is InChI=1S/C16H26O4/c1-18-15(17)11-8-6-4-2-3-5-7-9-12-16-19-13-10-14-20-16/h2-3,7,9,16H,4-6,8,10-14H2,1H3/b3-2-,9-7+.
What are the key properties of methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate?
methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate has a molecular weight of 282.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6Z,9E)-11-(1,3-dioxan-2-yl)undeca-6,9-dienoate is sourced from PubChem (CID 131863601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).