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

C24H46O7 — CID 141458436

IUPAC4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
SMILESC=C(OC(=C)C(C)COC(C)COC(C)COC)C(C)COC(C)COC(C)COC
InChIInChI=1S/C24H46O7/c1-17(11-27-21(5)15-29-19(3)13-25-9)23(7)31-24(8)18(2)12-28-22(6)16-30-20(4)14-26-10/h17-22H,7-8,11-16H2,1-6,9-10H3
InChIKeyCABGOAZLGRUJBG-UHFFFAOYSA-N
MW446.63 g/mol
LogP4.22
Rot. Bonds20

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

4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene (PubChem CID 141458436) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene.

Molecular Properties

Compound Name4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
PubChem CID141458436
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene
SMILESC=C(OC(=C)C(C)COC(C)COC(C)COC)C(C)COC(C)COC(C)COC
InChIInChI=1S/C24H46O7/c1-17(11-27-21(5)15-29-19(3)13-25-9)23(7)31-24(8)18(2)12-28-22(6)16-30-20(4)14-26-10/h17-22H,7-8,11-16H2,1-6,9-10H3
InChIKeyCABGOAZLGRUJBG-UHFFFAOYSA-N
XLogP4.22
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The IUPAC name of 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene (CID 141458436) is 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene.
What is the SMILES notation for 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The canonical SMILES for 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene is C=C(OC(=C)C(C)COC(C)COC(C)COC)C(C)COC(C)COC(C)COC.
What is the InChIKey of 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
The InChIKey is CABGOAZLGRUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-17(11-27-21(5)15-29-19(3)13-25-9)23(7)31-24(8)18(2)12-28-22(6)16-30-20(4)14-26-10/h17-22H,7-8,11-16H2,1-6,9-10H3.
What are the key properties of 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene?
4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene has a molecular weight of 446.63 g/mol, XLogP of 4.22, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-[4-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-3-methylbut-1-en-2-yl]oxy-3-methylbut-1-ene is sourced from PubChem (CID 141458436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).