4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene

C18H34O5 — CID 141458434

IUPAC4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
SMILESC=C(OC(=C)C(C)COC(C)COC)C(C)COC(C)COC
InChIInChI=1S/C18H34O5/c1-13(9-21-15(3)11-19-7)17(5)23-18(6)14(2)10-22-16(4)12-20-8/h13-16H,5-6,9-12H2,1-4,7-8H3
InChIKeyDALVHGCHIKLWKN-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.41
Rot. Bonds14

About 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene

4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene (PubChem CID 141458434) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
PubChem CID141458434
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
SMILESC=C(OC(=C)C(C)COC(C)COC)C(C)COC(C)COC
InChIInChI=1S/C18H34O5/c1-13(9-21-15(3)11-19-7)17(5)23-18(6)14(2)10-22-16(4)12-20-8/h13-16H,5-6,9-12H2,1-4,7-8H3
InChIKeyDALVHGCHIKLWKN-UHFFFAOYSA-N
XLogP3.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene (CID 141458434) is 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene is C=C(OC(=C)C(C)COC(C)COC)C(C)COC(C)COC.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The InChIKey is DALVHGCHIKLWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-13(9-21-15(3)11-19-7)17(5)23-18(6)14(2)10-22-16(4)12-20-8/h13-16H,5-6,9-12H2,1-4,7-8H3.
What are the key properties of 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene has a molecular weight of 330.47 g/mol, XLogP of 3.41, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)-2-[4-(1-methoxypropan-2-yloxy)-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene is sourced from PubChem (CID 141458434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).