4,7-bis(2-methylbutan-2-yloxy)decane

C20H42O2 — CID 171725381

IUPAC4,7-bis(2-methylbutan-2-yloxy)decane
SMILESCCCC(CCC(CCC)OC(C)(C)CC)OC(C)(C)CC
InChIInChI=1S/C20H42O2/c1-9-13-17(21-19(5,6)11-3)15-16-18(14-10-2)22-20(7,8)12-4/h17-18H,9-16H2,1-8H3
InChIKeyMITYWOMPXYRVNU-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.51
Rot. Bonds13

About 4,7-bis(2-methylbutan-2-yloxy)decane

4,7-bis(2-methylbutan-2-yloxy)decane (PubChem CID 171725381) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 4,7-bis(2-methylbutan-2-yloxy)decane.

Molecular Properties

Compound Name4,7-bis(2-methylbutan-2-yloxy)decane
PubChem CID171725381
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name4,7-bis(2-methylbutan-2-yloxy)decane
SMILESCCCC(CCC(CCC)OC(C)(C)CC)OC(C)(C)CC
InChIInChI=1S/C20H42O2/c1-9-13-17(21-19(5,6)11-3)15-16-18(14-10-2)22-20(7,8)12-4/h17-18H,9-16H2,1-8H3
InChIKeyMITYWOMPXYRVNU-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(2-methylbutan-2-yloxy)decane?
The IUPAC name of 4,7-bis(2-methylbutan-2-yloxy)decane (CID 171725381) is 4,7-bis(2-methylbutan-2-yloxy)decane.
What is the SMILES notation for 4,7-bis(2-methylbutan-2-yloxy)decane?
The canonical SMILES for 4,7-bis(2-methylbutan-2-yloxy)decane is CCCC(CCC(CCC)OC(C)(C)CC)OC(C)(C)CC.
What is the InChIKey of 4,7-bis(2-methylbutan-2-yloxy)decane?
The InChIKey is MITYWOMPXYRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-9-13-17(21-19(5,6)11-3)15-16-18(14-10-2)22-20(7,8)12-4/h17-18H,9-16H2,1-8H3.
What are the key properties of 4,7-bis(2-methylbutan-2-yloxy)decane?
4,7-bis(2-methylbutan-2-yloxy)decane has a molecular weight of 314.55 g/mol, XLogP of 6.51, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(2-methylbutan-2-yloxy)decane is sourced from PubChem (CID 171725381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).