methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate

C20H32O2 — CID 10902803

IUPACmethyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
SMILESCC[C@@H](C)CC/C=C/C(C)=C/[C@H](C)C/C=C/C=C/C(=O)OC
InChIInChI=1S/C20H32O2/c1-6-17(2)12-10-11-14-19(4)16-18(3)13-8-7-9-15-20(21)22-5/h7-9,11,14-18H,6,10,12-13H2,1-5H3/b8-7+,14-11+,15-9+,19-16+/t17-,18-/m1/s1
InChIKeyKDIKGBSGQLBRQP-LACIPOBDSA-N
MW304.47 g/mol
LogP5.63
Rot. Bonds10

About methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate

methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate (PubChem CID 10902803) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
PubChem CID10902803
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Namemethyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
SMILESCC[C@@H](C)CC/C=C/C(C)=C/[C@H](C)C/C=C/C=C/C(=O)OC
InChIInChI=1S/C20H32O2/c1-6-17(2)12-10-11-14-19(4)16-18(3)13-8-7-9-15-20(21)22-5/h7-9,11,14-18H,6,10,12-13H2,1-5H3/b8-7+,14-11+,15-9+,19-16+/t17-,18-/m1/s1
InChIKeyKDIKGBSGQLBRQP-LACIPOBDSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.63
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 methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
8-methyldeca-2,4-dienoic acid
CID 154133307
ethyl (2E,4E,6E,8E,10S,12S)-8,10,12-trimethyltetradeca-2,4,6,8-tetraenoate
CID 11808426
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104
methyl deca-2,4,6-trienoate
CID 57131946
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
methyl (2E,4E,9E)-10-iodo-4,6,9-trimethyldeca-2,4,9-trienoate
CID 102081988
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
ethyl (2Z,6R,8E,10E)-6-methyldodeca-2,8,10-trienoate
CID 10514001
methyl 8-hydroxyoctadeca-2,4-dienoate
CID 90770344
(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
CID 15297449

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate?
The IUPAC name of methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate (CID 10902803) is methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate.
What is the SMILES notation for methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate?
The canonical SMILES for methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate is CC[C@@H](C)CC/C=C/C(C)=C/[C@H](C)C/C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate?
The InChIKey is KDIKGBSGQLBRQP-LACIPOBDSA-N. The full InChI is InChI=1S/C20H32O2/c1-6-17(2)12-10-11-14-19(4)16-18(3)13-8-7-9-15-20(21)22-5/h7-9,11,14-18H,6,10,12-13H2,1-5H3/b8-7+,14-11+,15-9+,19-16+/t17-,18-/m1/s1.
What are the key properties of methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate?
methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate has a molecular weight of 304.47 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate is sourced from PubChem (CID 10902803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).