2-(4,7-dimethyloctan-4-yloxy)ethanol

C12H26O2 — CID 142712645

IUPAC2-(4,7-dimethyloctan-4-yloxy)ethanol
SMILESCCCC(C)(CCC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-5-7-12(4,14-10-9-13)8-6-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyVOAJHQWJCPHMLY-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds8

About 2-(4,7-dimethyloctan-4-yloxy)ethanol

2-(4,7-dimethyloctan-4-yloxy)ethanol (PubChem CID 142712645) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(4,7-dimethyloctan-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(4,7-dimethyloctan-4-yloxy)ethanol
PubChem CID142712645
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(4,7-dimethyloctan-4-yloxy)ethanol
SMILESCCCC(C)(CCC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-5-7-12(4,14-10-9-13)8-6-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyVOAJHQWJCPHMLY-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyloctan-4-yloxy)ethanol?
The IUPAC name of 2-(4,7-dimethyloctan-4-yloxy)ethanol (CID 142712645) is 2-(4,7-dimethyloctan-4-yloxy)ethanol.
What is the SMILES notation for 2-(4,7-dimethyloctan-4-yloxy)ethanol?
The canonical SMILES for 2-(4,7-dimethyloctan-4-yloxy)ethanol is CCCC(C)(CCC(C)C)OCCO.
What is the InChIKey of 2-(4,7-dimethyloctan-4-yloxy)ethanol?
The InChIKey is VOAJHQWJCPHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-12(4,14-10-9-13)8-6-11(2)3/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-(4,7-dimethyloctan-4-yloxy)ethanol?
2-(4,7-dimethyloctan-4-yloxy)ethanol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyloctan-4-yloxy)ethanol is sourced from PubChem (CID 142712645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).