methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate

C16H26O3 — CID 134859050

IUPACmethyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate
SMILESCC/C=C(\OC/C=C(\C)CCC=C(C)C)C(=O)OC
InChIInChI=1S/C16H26O3/c1-6-8-15(16(17)18-5)19-12-11-14(4)10-7-9-13(2)3/h8-9,11H,6-7,10,12H2,1-5H3/b14-11+,15-8-
InChIKeyIEVWJHASJXJGDX-REXKXQMVSA-N
MW266.38 g/mol
LogP4.16
Rot. Bonds8

About methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate

methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate (PubChem CID 134859050) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate
PubChem CID134859050
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate
SMILESCC/C=C(\OC/C=C(\C)CCC=C(C)C)C(=O)OC
InChIInChI=1S/C16H26O3/c1-6-8-15(16(17)18-5)19-12-11-14(4)10-7-9-13(2)3/h8-9,11H,6-7,10,12H2,1-5H3/b14-11+,15-8-
InChIKeyIEVWJHASJXJGDX-REXKXQMVSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate?
The IUPAC name of methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate (CID 134859050) is methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate.
What is the SMILES notation for methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate?
The canonical SMILES for methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate is CC/C=C(\OC/C=C(\C)CCC=C(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate?
The InChIKey is IEVWJHASJXJGDX-REXKXQMVSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-8-15(16(17)18-5)19-12-11-14(4)10-7-9-13(2)3/h8-9,11H,6-7,10,12H2,1-5H3/b14-11+,15-8-.
What are the key properties of methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate?
methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate has a molecular weight of 266.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate is sourced from PubChem (CID 134859050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).