5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol

C17H36O4 — CID 123584128

IUPAC5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol
SMILESCOC(C)(C)OC(C)(C)C(C)C(O)C(C)(CC(C)C)OC
InChIInChI=1S/C17H36O4/c1-12(2)11-17(8,20-10)14(18)13(3)15(4,5)21-16(6,7)19-9/h12-14,18H,11H2,1-10H3
InChIKeyKGPVMNYRYYHRBV-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.61
Rot. Bonds9

About 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol

5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol (PubChem CID 123584128) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol
PubChem CID123584128
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol
SMILESCOC(C)(C)OC(C)(C)C(C)C(O)C(C)(CC(C)C)OC
InChIInChI=1S/C17H36O4/c1-12(2)11-17(8,20-10)14(18)13(3)15(4,5)21-16(6,7)19-9/h12-14,18H,11H2,1-10H3
InChIKeyKGPVMNYRYYHRBV-UHFFFAOYSA-N
XLogP3.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2,4-dimethylpentane-1,1-diol
CID 142039532
3-methoxy-3,5-dimethylhexan-2-ol
CID 151114021
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
1,5-dimethoxy-3,5-dimethylheptan-4-ol
CID 116752012
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
1-methoxy-2,2,4-trimethylpentan-3-ol
CID 23199457
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
1-amino-4-methoxy-4-methylpentan-3-ol
CID 130647917
1,2,4,4-tetramethoxy-2,3-dimethylpentane
CID 90464397
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol?
The IUPAC name of 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol (CID 123584128) is 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol.
What is the SMILES notation for 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol?
The canonical SMILES for 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol is COC(C)(C)OC(C)(C)C(C)C(O)C(C)(CC(C)C)OC.
What is the InChIKey of 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol?
The InChIKey is KGPVMNYRYYHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-12(2)11-17(8,20-10)14(18)13(3)15(4,5)21-16(6,7)19-9/h12-14,18H,11H2,1-10H3.
What are the key properties of 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol?
5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol has a molecular weight of 304.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol is sourced from PubChem (CID 123584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).