1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane

C13H28O5 — CID 123724505

IUPAC1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane
SMILESCOCC(OC)C(OC)C(COC)OC(C)(C)C
InChIInChI=1S/C13H28O5/c1-13(2,3)18-11(9-15-5)12(17-7)10(16-6)8-14-4/h10-12H,8-9H2,1-7H3
InChIKeyZBWKSPUEIDVYCS-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.49
Rot. Bonds9

About 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane

1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 123724505) has the molecular formula C13H28O5 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID123724505
Molecular FormulaC13H28O5
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane
SMILESCOCC(OC)C(OC)C(COC)OC(C)(C)C
InChIInChI=1S/C13H28O5/c1-13(2,3)18-11(9-15-5)12(17-7)10(16-6)8-14-4/h10-12H,8-9H2,1-7H3
InChIKeyZBWKSPUEIDVYCS-UHFFFAOYSA-N
XLogP1.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S,4R)-1,2,3,4,5-pentamethoxypentane
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2-(tert-Butoxymethyl)oxolane
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2-[3-[2-(2-Ethoxyethoxy)ethoxy]propyl]oxirane
CID 162396138
12-Methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane
CID 15721737
5-Methoxy-1,2-bis(2-methoxyethoxy)pentane
CID 20641940
1,2,3,4,5-Pentakis(2-methoxyethoxy)pentane
CID 22886701
2-[3-Butoxy-2-(2-ethoxyethoxy)propyl]oxirane
CID 53954436
2-(2-Ethoxy-3-methoxypropyl)oxirane
CID 54052683
2-(2,3-Diethoxypropyl)oxirane
CID 54286552

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane (CID 123724505) is 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane is COCC(OC)C(OC)C(COC)OC(C)(C)C.
What is the InChIKey of 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is ZBWKSPUEIDVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5/c1-13(2,3)18-11(9-15-5)12(17-7)10(16-6)8-14-4/h10-12H,8-9H2,1-7H3.
What are the key properties of 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane?
1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 264.36 g/mol, XLogP of 1.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethoxy-4-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 123724505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).