(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate

C18H32O4 — CID 123309365

IUPAC(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate
SMILESC=CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C
InChIInChI=1S/C18H32O4/c1-9-10-11-15(20-7)14(3)16(21-8)13(2)12-22-17(19)18(4,5)6/h9-11,13-16H,1,12H2,2-8H3
InChIKeyGFUYVYXBRLPQMO-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.62
Rot. Bonds9

About (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate

(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate (PubChem CID 123309365) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate
PubChem CID123309365
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate
SMILESC=CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C
InChIInChI=1S/C18H32O4/c1-9-10-11-15(20-7)14(3)16(21-8)13(2)12-22-17(19)18(4,5)6/h9-11,13-16H,1,12H2,2-8H3
InChIKeyGFUYVYXBRLPQMO-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate?
The IUPAC name of (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate (CID 123309365) is (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate is C=CC=CC(OC)C(C)C(OC)C(C)COC(=O)C(C)(C)C.
What is the InChIKey of (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate?
The InChIKey is GFUYVYXBRLPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-9-10-11-15(20-7)14(3)16(21-8)13(2)12-22-17(19)18(4,5)6/h9-11,13-16H,1,12H2,2-8H3.
What are the key properties of (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate?
(3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate has a molecular weight of 312.45 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-2,4-dimethylnona-6,8-dienyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 123309365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).