2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate

C15H26O2 — CID 135224834

IUPAC2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
SMILESCC/C=C\C/C=C\CC(C)C(=O)OCC(C)C
InChIInChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-14(4)15(16)17-12-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3/b7-6-,10-9-
InChIKeyBZYJTUJENNVRRX-HZJYTTRNSA-N
MW238.37 g/mol
LogP4.12
Rot. Bonds8

About 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate

2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate (PubChem CID 135224834) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate.

Molecular Properties

Compound Name2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
PubChem CID135224834
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
SMILESCC/C=C\C/C=C\CC(C)C(=O)OCC(C)C
InChIInChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-14(4)15(16)17-12-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3/b7-6-,10-9-
InChIKeyBZYJTUJENNVRRX-HZJYTTRNSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.12
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

2-methylpropyl 2-methylhex-4-enoate
CID 141352249
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
ethyl 2-methylicosa-11,14,17-trienoate
CID 72538095
ethyl 2-methyloctadeca-9,12,15-trienoate
CID 72538146
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
1-O-[(E)-hex-3-enyl] 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91697840
ethyl (4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate
CID 59187756
(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one
CID 157466418
methyl 2-(docosa-4,7,10,13,16,19-hexaenoylamino)-4-methylpentanoate
CID 72539769
[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
CID 135224843
ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate
CID 59187798

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate?
The IUPAC name of 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate (CID 135224834) is 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate.
What is the SMILES notation for 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate?
The canonical SMILES for 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate is CC/C=C\C/C=C\CC(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate?
The InChIKey is BZYJTUJENNVRRX-HZJYTTRNSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-7-8-9-10-11-14(4)15(16)17-12-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3/b7-6-,10-9-.
What are the key properties of 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate?
2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate is sourced from PubChem (CID 135224834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).