1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane

C26H52O6 — CID 146436633

IUPAC1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane
SMILESC=CCC(COC(C)(C)CCOC(C)(C)CCOC)OC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C26H52O6/c1-12-13-22(32-25(6,7)16-19-30-26(8,9)21-28-11)20-31-24(4,5)15-18-29-23(2,3)14-17-27-10/h12,22H,1,13-21H2,2-11H3
InChIKeyXLGLYVUFVBBFTL-UHFFFAOYSA-N
MW460.70 g/mol
LogP5.57
Rot. Bonds20

About 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane

1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane (PubChem CID 146436633) has the molecular formula C26H52O6 and a molecular weight of 460.70 g/mol. Its IUPAC name is 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane.

Molecular Properties

Compound Name1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane
PubChem CID146436633
Molecular FormulaC26H52O6
Molecular Weight460.70 g/mol
Exact Mass460.38
IUPAC Name1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane
SMILESC=CCC(COC(C)(C)CCOC(C)(C)CCOC)OC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C26H52O6/c1-12-13-22(32-25(6,7)16-19-30-26(8,9)21-28-11)20-31-24(4,5)15-18-29-23(2,3)14-17-27-10/h12,22H,1,13-21H2,2-11H3
InChIKeyXLGLYVUFVBBFTL-UHFFFAOYSA-N
XLogP5.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane?
The IUPAC name of 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane (CID 146436633) is 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane.
What is the SMILES notation for 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane?
The canonical SMILES for 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane is C=CCC(COC(C)(C)CCOC(C)(C)CCOC)OC(C)(C)CCOC(C)(C)COC.
What is the InChIKey of 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane?
The InChIKey is XLGLYVUFVBBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O6/c1-12-13-22(32-25(6,7)16-19-30-26(8,9)21-28-11)20-31-24(4,5)15-18-29-23(2,3)14-17-27-10/h12,22H,1,13-21H2,2-11H3.
What are the key properties of 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane?
1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane has a molecular weight of 460.70 g/mol, XLogP of 5.57, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypent-4-enoxy]-3-methylbutoxy]-3-methylbutane is sourced from PubChem (CID 146436633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).