1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol

C13H26O4 — CID 90881026

IUPAC1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol
SMILESCCCC(O)C1(CC)CCC(OC(C)(C)O)O1
InChIInChI=1S/C13H26O4/c1-5-7-10(14)13(6-2)9-8-11(17-13)16-12(3,4)15/h10-11,14-15H,5-9H2,1-4H3
InChIKeyOUCQXCUJIOJRMS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol

1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol (PubChem CID 90881026) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol
PubChem CID90881026
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol
SMILESCCCC(O)C1(CC)CCC(OC(C)(C)O)O1
InChIInChI=1S/C13H26O4/c1-5-7-10(14)13(6-2)9-8-11(17-13)16-12(3,4)15/h10-11,14-15H,5-9H2,1-4H3
InChIKeyOUCQXCUJIOJRMS-UHFFFAOYSA-N
XLogP2.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
CID 123283726
(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 129172685
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
CID 68539484
2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
CID 147454887
2-tert-butyl-2-ethyloxetane
CID 89426434
2-(2-propylpentoxy)oxane
CID 175998246
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
ethyl (E,6S)-6-hydroxy-6-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enoate
CID 102319360
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 134524619

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol?
The IUPAC name of 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol (CID 90881026) is 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol.
What is the SMILES notation for 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol?
The canonical SMILES for 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol is CCCC(O)C1(CC)CCC(OC(C)(C)O)O1.
What is the InChIKey of 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol?
The InChIKey is OUCQXCUJIOJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-5-7-10(14)13(6-2)9-8-11(17-13)16-12(3,4)15/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol?
1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol is sourced from PubChem (CID 90881026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).