ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate

C19H32O4 — CID 14214227

IUPACethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
SMILESCCOC(=O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C19H32O4/c1-4-21-18(20)12-11-16(2)8-7-9-17(3)13-15-23-19-10-5-6-14-22-19/h8,13,19H,4-7,9-12,14-15H2,1-3H3/b16-8+,17-13+
InChIKeyMNNWFORMXRFJSO-IUIJUMGXSA-N
MW324.46 g/mol
LogP4.55
Rot. Bonds10

About ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate

ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate (PubChem CID 14214227) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate.

Molecular Properties

Compound Nameethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
PubChem CID14214227
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Nameethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
SMILESCCOC(=O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C19H32O4/c1-4-21-18(20)12-11-16(2)8-7-9-17(3)13-15-23-19-10-5-6-14-22-19/h8,13,19H,4-7,9-12,14-15H2,1-3H3/b16-8+,17-13+
InChIKeyMNNWFORMXRFJSO-IUIJUMGXSA-N
XLogP4.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate?
The IUPAC name of ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate (CID 14214227) is ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate.
What is the SMILES notation for ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate?
The canonical SMILES for ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate is CCOC(=O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate?
The InChIKey is MNNWFORMXRFJSO-IUIJUMGXSA-N. The full InChI is InChI=1S/C19H32O4/c1-4-21-18(20)12-11-16(2)8-7-9-17(3)13-15-23-19-10-5-6-14-22-19/h8,13,19H,4-7,9-12,14-15H2,1-3H3/b16-8+,17-13+.
What are the key properties of ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate?
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate has a molecular weight of 324.46 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate is sourced from PubChem (CID 14214227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).