4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane

C20H42O2 — CID 87651866

IUPAC4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane
SMILESCOC(C)(CCC(C)(C)CC(C)(C)OC(C)C)CC(C)(C)C
InChIInChI=1S/C20H42O2/c1-16(2)22-19(8,9)15-18(6,7)12-13-20(10,21-11)14-17(3,4)5/h16H,12-15H2,1-11H3
InChIKeyQEYPUFIOJZHNPJ-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.23
Rot. Bonds9

About 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane

4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane (PubChem CID 87651866) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane.

Molecular Properties

Compound Name4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane
PubChem CID87651866
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane
SMILESCOC(C)(CCC(C)(C)CC(C)(C)OC(C)C)CC(C)(C)C
InChIInChI=1S/C20H42O2/c1-16(2)22-19(8,9)15-18(6,7)12-13-20(10,21-11)14-17(3,4)5/h16H,12-15H2,1-11H3
InChIKeyQEYPUFIOJZHNPJ-UHFFFAOYSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane?
The IUPAC name of 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane (CID 87651866) is 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane.
What is the SMILES notation for 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane?
The canonical SMILES for 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane is COC(C)(CCC(C)(C)CC(C)(C)OC(C)C)CC(C)(C)C.
What is the InChIKey of 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane?
The InChIKey is QEYPUFIOJZHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-16(2)22-19(8,9)15-18(6,7)12-13-20(10,21-11)14-17(3,4)5/h16H,12-15H2,1-11H3.
What are the key properties of 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane?
4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane has a molecular weight of 314.55 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane is sourced from PubChem (CID 87651866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).