(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene

C15H28O2 — CID 88982026

IUPAC(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene
SMILESC=C(COC(C)(C)CCC/C(C)=C/CC)OC
InChIInChI=1S/C15H28O2/c1-7-9-13(2)10-8-11-15(4,5)17-12-14(3)16-6/h9H,3,7-8,10-12H2,1-2,4-6H3/b13-9+
InChIKeyWWHAJSFVZGVEFI-UKTHLTGXSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds9

About (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene

(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene (PubChem CID 88982026) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene.

Molecular Properties

Compound Name(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene
PubChem CID88982026
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene
SMILESC=C(COC(C)(C)CCC/C(C)=C/CC)OC
InChIInChI=1S/C15H28O2/c1-7-9-13(2)10-8-11-15(4,5)17-12-14(3)16-6/h9H,3,7-8,10-12H2,1-2,4-6H3/b13-9+
InChIKeyWWHAJSFVZGVEFI-UKTHLTGXSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene?
The IUPAC name of (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene (CID 88982026) is (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene.
What is the SMILES notation for (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene?
The canonical SMILES for (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene is C=C(COC(C)(C)CCC/C(C)=C/CC)OC.
What is the InChIKey of (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene?
The InChIKey is WWHAJSFVZGVEFI-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-9-13(2)10-8-11-15(4,5)17-12-14(3)16-6/h9H,3,7-8,10-12H2,1-2,4-6H3/b13-9+.
What are the key properties of (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene?
(E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene has a molecular weight of 240.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(2-methoxyprop-2-enoxy)-4,8-dimethylnon-3-ene is sourced from PubChem (CID 88982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).