ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate

C15H24O2 — CID 10514001

IUPACethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate
SMILESC/C=C/C=C/C[C@H](C)CC/C=C\C(=O)OCC
InChIInChI=1S/C15H24O2/c1-4-6-7-8-11-14(3)12-9-10-13-15(16)17-5-2/h4,6-8,10,13-14H,5,9,11-12H2,1-3H3/b6-4+,8-7+,13-10-/t14-/m0/s1
InChIKeyRWVYWNGZDHCVPV-UCSCGATDSA-N
MW236.35 g/mol
LogP4.04
Rot. Bonds8

About ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate

ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate (PubChem CID 10514001) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate.

Molecular Properties

Compound Nameethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate
PubChem CID10514001
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate
SMILESC/C=C/C=C/C[C@H](C)CC/C=C\C(=O)OCC
InChIInChI=1S/C15H24O2/c1-4-6-7-8-11-14(3)12-9-10-13-15(16)17-5-2/h4,6-8,10,13-14H,5,9,11-12H2,1-3H3/b6-4+,8-7+,13-10-/t14-/m0/s1
InChIKeyRWVYWNGZDHCVPV-UCSCGATDSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
ethyl (2E,6R)-9,9-dibromo-6-methylnona-2,8-dienoate
CID 11573932
ethyl (E,6R)-6-methylnon-2-en-8-ynoate
CID 71475126
ethyl 13-methyltetradec-2-enoate
CID 71332881
ethyl (E)-7-hydroxyoct-2-enoate
CID 5368922
ethyl 6-amino-7-oxohept-2-enoate
CID 123880740
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
ethyl (E)-10-hydroxyundec-2-enoate
CID 11572146
ethyl (5S)-7-[(2R)-3,3-dimethyloxiran-2-yl]-5-methylhept-2-enoate
CID 173271259
ethyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54528342
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
CID 10548569

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate?
The IUPAC name of ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate (CID 10514001) is ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate.
What is the SMILES notation for ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate?
The canonical SMILES for ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate is C/C=C/C=C/C[C@H](C)CC/C=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate?
The InChIKey is RWVYWNGZDHCVPV-UCSCGATDSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-7-8-11-14(3)12-9-10-13-15(16)17-5-2/h4,6-8,10,13-14H,5,9,11-12H2,1-3H3/b6-4+,8-7+,13-10-/t14-/m0/s1.
What are the key properties of ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate?
ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate has a molecular weight of 236.35 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate is sourced from PubChem (CID 10514001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).