2-(3,7-dimethyloctan-4-yloxy)ethanol

C12H26O2 — CID 142712484

IUPAC2-(3,7-dimethyloctan-4-yloxy)ethanol
SMILESCCC(C)C(CCC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-5-11(4)12(14-9-8-13)7-6-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyZYLBUWFUBWXOBH-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds8

About 2-(3,7-dimethyloctan-4-yloxy)ethanol

2-(3,7-dimethyloctan-4-yloxy)ethanol (PubChem CID 142712484) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(3,7-dimethyloctan-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(3,7-dimethyloctan-4-yloxy)ethanol
PubChem CID142712484
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(3,7-dimethyloctan-4-yloxy)ethanol
SMILESCCC(C)C(CCC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-5-11(4)12(14-9-8-13)7-6-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyZYLBUWFUBWXOBH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
CID 142712664
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
2-(2,2,6-trimethylheptan-3-yloxy)ethanol
CID 142712551
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
CID 139910427
2-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]-16-methylheptadecanoic acid;pentane-2,3-diol
CID 88505396
2,5,6-trimethyl-9-propoxydecane
CID 143799470
(4R)-4-propoxypentan-1-ol
CID 54320299
2-(1-chloropropoxy)ethanol
CID 19070492

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloctan-4-yloxy)ethanol?
The IUPAC name of 2-(3,7-dimethyloctan-4-yloxy)ethanol (CID 142712484) is 2-(3,7-dimethyloctan-4-yloxy)ethanol.
What is the SMILES notation for 2-(3,7-dimethyloctan-4-yloxy)ethanol?
The canonical SMILES for 2-(3,7-dimethyloctan-4-yloxy)ethanol is CCC(C)C(CCC(C)C)OCCO.
What is the InChIKey of 2-(3,7-dimethyloctan-4-yloxy)ethanol?
The InChIKey is ZYLBUWFUBWXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-11(4)12(14-9-8-13)7-6-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(3,7-dimethyloctan-4-yloxy)ethanol?
2-(3,7-dimethyloctan-4-yloxy)ethanol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloctan-4-yloxy)ethanol is sourced from PubChem (CID 142712484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).