4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene

C22H44O4 — CID 89078113

IUPAC4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene
SMILESC=CCC(CCOC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C
InChIInChI=1S/C22H44O4/c1-10-11-20(26-22(8,9)14-17-24-19(4)5)12-15-25-21(6,7)13-16-23-18(2)3/h10,18-20H,1,11-17H2,2-9H3
InChIKeyCCRFBGUYYBLGQC-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.54
Rot. Bonds16

About 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene

4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene (PubChem CID 89078113) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene.

Molecular Properties

Compound Name4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene
PubChem CID89078113
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene
SMILESC=CCC(CCOC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C
InChIInChI=1S/C22H44O4/c1-10-11-20(26-22(8,9)14-17-24-19(4)5)12-15-25-21(6,7)13-16-23-18(2)3/h10,18-20H,1,11-17H2,2-9H3
InChIKeyCCRFBGUYYBLGQC-UHFFFAOYSA-N
XLogP5.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene?
The IUPAC name of 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene (CID 89078113) is 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene.
What is the SMILES notation for 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene?
The canonical SMILES for 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene is C=CCC(CCOC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C.
What is the InChIKey of 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene?
The InChIKey is CCRFBGUYYBLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4/c1-10-11-20(26-22(8,9)14-17-24-19(4)5)12-15-25-21(6,7)13-16-23-18(2)3/h10,18-20H,1,11-17H2,2-9H3.
What are the key properties of 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene?
4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene has a molecular weight of 372.59 g/mol, XLogP of 5.54, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(2-methyl-4-propan-2-yloxybutan-2-yl)oxy]hex-1-ene is sourced from PubChem (CID 89078113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).