methyl (3E,6E)-deca-3,6-dienoate

C11H18O2 — CID 18319379

IUPACmethyl (3E,6E)-deca-3,6-dienoate
SMILESCCC/C=C/C/C=C/CC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-6,8-9H,3-4,7,10H2,1-2H3/b6-5+,9-8+
InChIKeySYGMGFWHASCAQF-HHWLVVFRSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About methyl (3E,6E)-deca-3,6-dienoate

methyl (3E,6E)-deca-3,6-dienoate (PubChem CID 18319379) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (3E,6E)-deca-3,6-dienoate.

Molecular Properties

Compound Namemethyl (3E,6E)-deca-3,6-dienoate
PubChem CID18319379
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (3E,6E)-deca-3,6-dienoate
SMILESCCC/C=C/C/C=C/CC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-6,8-9H,3-4,7,10H2,1-2H3/b6-5+,9-8+
InChIKeySYGMGFWHASCAQF-HHWLVVFRSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
methyl hexadeca-9,12-dienoate
CID 549033
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
CID 118240850
methyl tridec-3-enoate
CID 72597559
methyl (Z)-hexadec-3-enoate
CID 91746830
methyl (3Z,6Z)-deca-3,6,9-trienoate
CID 118680106
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
methyl (Z)-oct-4-enoate
CID 5352774
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710

Frequently Asked Questions

What is the IUPAC name of methyl (3E,6E)-deca-3,6-dienoate?
The IUPAC name of methyl (3E,6E)-deca-3,6-dienoate (CID 18319379) is methyl (3E,6E)-deca-3,6-dienoate.
What is the SMILES notation for methyl (3E,6E)-deca-3,6-dienoate?
The canonical SMILES for methyl (3E,6E)-deca-3,6-dienoate is CCC/C=C/C/C=C/CC(=O)OC.
What is the InChIKey of methyl (3E,6E)-deca-3,6-dienoate?
The InChIKey is SYGMGFWHASCAQF-HHWLVVFRSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-6,8-9H,3-4,7,10H2,1-2H3/b6-5+,9-8+.
What are the key properties of methyl (3E,6E)-deca-3,6-dienoate?
methyl (3E,6E)-deca-3,6-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E,6E)-deca-3,6-dienoate is sourced from PubChem (CID 18319379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).