4-(2-ethylhexylamino)oxolan-3-ol

C12H25NO2 — CID 107820067

IUPAC4-(2-ethylhexylamino)oxolan-3-ol
SMILESCCCCC(CC)CNC1COCC1O
InChIInChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-11-8-15-9-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyDZSAQNABJXOIOK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About 4-(2-ethylhexylamino)oxolan-3-ol

4-(2-ethylhexylamino)oxolan-3-ol (PubChem CID 107820067) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2-ethylhexylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-ethylhexylamino)oxolan-3-ol
PubChem CID107820067
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2-ethylhexylamino)oxolan-3-ol
SMILESCCCCC(CC)CNC1COCC1O
InChIInChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-11-8-15-9-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyDZSAQNABJXOIOK-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898
4-(2-methylpentylamino)oxolan-3-ol
CID 115919683
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720593
2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
CID 66265491
N-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
5-(2-ethylhexoxy)oxan-3-ol
CID 126614753

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylamino)oxolan-3-ol?
The IUPAC name of 4-(2-ethylhexylamino)oxolan-3-ol (CID 107820067) is 4-(2-ethylhexylamino)oxolan-3-ol.
What is the SMILES notation for 4-(2-ethylhexylamino)oxolan-3-ol?
The canonical SMILES for 4-(2-ethylhexylamino)oxolan-3-ol is CCCCC(CC)CNC1COCC1O.
What is the InChIKey of 4-(2-ethylhexylamino)oxolan-3-ol?
The InChIKey is DZSAQNABJXOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-11-8-15-9-12(11)14/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethylhexylamino)oxolan-3-ol?
4-(2-ethylhexylamino)oxolan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylamino)oxolan-3-ol is sourced from PubChem (CID 107820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).