4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane

C17H36O2 — CID 58051570

IUPAC4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane
SMILESCCC(C)COCC(CC(C)(C)C)OCC(C)CC
InChIInChI=1S/C17H36O2/c1-8-14(3)11-18-13-16(10-17(5,6)7)19-12-15(4)9-2/h14-16H,8-13H2,1-7H3
InChIKeyNSOVODHUAGROSO-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.92
Rot. Bonds10

About 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane

4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane (PubChem CID 58051570) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane.

Molecular Properties

Compound Name4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane
PubChem CID58051570
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane
SMILESCCC(C)COCC(CC(C)(C)C)OCC(C)CC
InChIInChI=1S/C17H36O2/c1-8-14(3)11-18-13-16(10-17(5,6)7)19-12-15(4)9-2/h14-16H,8-13H2,1-7H3
InChIKeyNSOVODHUAGROSO-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane?
The IUPAC name of 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane (CID 58051570) is 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane.
What is the SMILES notation for 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane?
The canonical SMILES for 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane is CCC(C)COCC(CC(C)(C)C)OCC(C)CC.
What is the InChIKey of 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane?
The InChIKey is NSOVODHUAGROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-8-14(3)11-18-13-16(10-17(5,6)7)19-12-15(4)9-2/h14-16H,8-13H2,1-7H3.
What are the key properties of 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane?
4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane has a molecular weight of 272.47 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,2-bis(2-methylbutoxy)pentane is sourced from PubChem (CID 58051570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).