methyl (3Z,6Z)-deca-3,6,9-trienoate

C11H16O2 — CID 118680106

IUPACmethyl (3Z,6Z)-deca-3,6,9-trienoate
SMILESC=CC/C=C\C/C=C\CC(=O)OC
InChIInChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3,5-6,8-9H,1,4,7,10H2,2H3/b6-5-,9-8-
InChIKeyFHQWJMDSXRIBDH-AFJQJTPPSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds6

About methyl (3Z,6Z)-deca-3,6,9-trienoate

methyl (3Z,6Z)-deca-3,6,9-trienoate (PubChem CID 118680106) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl (3Z,6Z)-deca-3,6,9-trienoate.

Molecular Properties

Compound Namemethyl (3Z,6Z)-deca-3,6,9-trienoate
PubChem CID118680106
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl (3Z,6Z)-deca-3,6,9-trienoate
SMILESC=CC/C=C\C/C=C\CC(=O)OC
InChIInChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3,5-6,8-9H,1,4,7,10H2,2H3/b6-5-,9-8-
InChIKeyFHQWJMDSXRIBDH-AFJQJTPPSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
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 (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
CID 118240850
methyl (4E)-octa-4,7-dienoate
CID 10986465
methyl (3E,6E)-deca-3,6-dienoate
CID 18319379
methyl (E)-6-oxohept-3-enoate
CID 58421988
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
dimethyl (E)-2-prop-2-enylhex-3-enedioate
CID 22630167
methyl (Z)-5-methylhex-3-enoate
CID 117268010
(3E)-N,N-dimethylhepta-3,6-dienamide
CID 88571457
methyl 6-bromohex-3-enoate
CID 54416291
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
dimethyl (E)-non-3-enedioate
CID 14690983

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,6Z)-deca-3,6,9-trienoate?
The IUPAC name of methyl (3Z,6Z)-deca-3,6,9-trienoate (CID 118680106) is methyl (3Z,6Z)-deca-3,6,9-trienoate.
What is the SMILES notation for methyl (3Z,6Z)-deca-3,6,9-trienoate?
The canonical SMILES for methyl (3Z,6Z)-deca-3,6,9-trienoate is C=CC/C=C\C/C=C\CC(=O)OC.
What is the InChIKey of methyl (3Z,6Z)-deca-3,6,9-trienoate?
The InChIKey is FHQWJMDSXRIBDH-AFJQJTPPSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3,5-6,8-9H,1,4,7,10H2,2H3/b6-5-,9-8-.
What are the key properties of methyl (3Z,6Z)-deca-3,6,9-trienoate?
methyl (3Z,6Z)-deca-3,6,9-trienoate has a molecular weight of 180.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,6Z)-deca-3,6,9-trienoate is sourced from PubChem (CID 118680106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).