4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene

C30H60O6 — CID 155007266

IUPAC4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C
InChIInChI=1S/C30H60O6/c1-14-15-27(6,7)33-21-18-29(10,11)35-23-26(36-30(12,13)17-20-32-25(4)5)22-34-28(8,9)16-19-31-24(2)3/h14,24-26H,1,15-23H2,2-13H3
InChIKeyJTWUNULZMKRHIG-UHFFFAOYSA-N
MW516.80 g/mol
LogP7.13
Rot. Bonds22

About 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene

4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene (PubChem CID 155007266) has the molecular formula C30H60O6 and a molecular weight of 516.80 g/mol. Its IUPAC name is 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene.

Molecular Properties

Compound Name4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene
PubChem CID155007266
Molecular FormulaC30H60O6
Molecular Weight516.80 g/mol
Exact Mass516.44
IUPAC Name4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene
SMILESC=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C
InChIInChI=1S/C30H60O6/c1-14-15-27(6,7)33-21-18-29(10,11)35-23-26(36-30(12,13)17-20-32-25(4)5)22-34-28(8,9)16-19-31-24(2)3/h14,24-26H,1,15-23H2,2-13H3
InChIKeyJTWUNULZMKRHIG-UHFFFAOYSA-N
XLogP7.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.80
LogP ≤ 57.13
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 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene?
The IUPAC name of 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene (CID 155007266) is 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene.
What is the SMILES notation for 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene?
The canonical SMILES for 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene is C=CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C.
What is the InChIKey of 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene?
The InChIKey is JTWUNULZMKRHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O6/c1-14-15-27(6,7)33-21-18-29(10,11)35-23-26(36-30(12,13)17-20-32-25(4)5)22-34-28(8,9)16-19-31-24(2)3/h14,24-26H,1,15-23H2,2-13H3.
What are the key properties of 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene?
4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene has a molecular weight of 516.80 g/mol, XLogP of 7.13, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,3-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]propoxy]-3-methylbutoxy]-4-methylpent-1-ene is sourced from PubChem (CID 155007266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).