4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene

C25H48O5 — CID 155007185

IUPAC4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene
SMILESC=CCC(C)(C)OCC(C)OCC(COC(C)C)OC(C)(C)COC(C)(C)CC=C
InChIInChI=1S/C25H48O5/c1-12-14-23(6,7)28-16-21(5)27-18-22(17-26-20(3)4)30-25(10,11)19-29-24(8,9)15-13-2/h12-13,20-22H,1-2,14-19H2,3-11H3
InChIKeyKYCSHEGXCWBXNE-UHFFFAOYSA-N
MW428.65 g/mol
LogP5.72
Rot. Bonds18

About 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene

4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene (PubChem CID 155007185) has the molecular formula C25H48O5 and a molecular weight of 428.65 g/mol. Its IUPAC name is 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene.

Molecular Properties

Compound Name4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene
PubChem CID155007185
Molecular FormulaC25H48O5
Molecular Weight428.65 g/mol
Exact Mass428.35
IUPAC Name4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene
SMILESC=CCC(C)(C)OCC(C)OCC(COC(C)C)OC(C)(C)COC(C)(C)CC=C
InChIInChI=1S/C25H48O5/c1-12-14-23(6,7)28-16-21(5)27-18-22(17-26-20(3)4)30-25(10,11)19-29-24(8,9)15-13-2/h12-13,20-22H,1-2,14-19H2,3-11H3
InChIKeyKYCSHEGXCWBXNE-UHFFFAOYSA-N
XLogP5.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene?
The IUPAC name of 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene (CID 155007185) is 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene.
What is the SMILES notation for 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene?
The canonical SMILES for 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene is C=CCC(C)(C)OCC(C)OCC(COC(C)C)OC(C)(C)COC(C)(C)CC=C.
What is the InChIKey of 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene?
The InChIKey is KYCSHEGXCWBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O5/c1-12-14-23(6,7)28-16-21(5)27-18-22(17-26-20(3)4)30-25(10,11)19-29-24(8,9)15-13-2/h12-13,20-22H,1-2,14-19H2,3-11H3.
What are the key properties of 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene?
4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene has a molecular weight of 428.65 g/mol, XLogP of 5.72, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-[2-[2-methyl-1-(2-methylpent-4-en-2-yloxy)propan-2-yl]oxy-3-propan-2-yloxypropoxy]propoxy]pent-1-ene is sourced from PubChem (CID 155007185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).