4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol

C10H20O3 — CID 139534748

IUPAC4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol
SMILESCCC1(CCCCO)COC1CO
InChIInChI=1S/C10H20O3/c1-2-10(5-3-4-6-11)8-13-9(10)7-12/h9,11-12H,2-8H2,1H3
InChIKeyIIBGOMLAINHGKS-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.94
Rot. Bonds6

About 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol

4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol (PubChem CID 139534748) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol
PubChem CID139534748
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol
SMILESCCC1(CCCCO)COC1CO
InChIInChI=1S/C10H20O3/c1-2-10(5-3-4-6-11)8-13-9(10)7-12/h9,11-12H,2-8H2,1H3
InChIKeyIIBGOMLAINHGKS-UHFFFAOYSA-N
XLogP0.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

{2,9-Dioxaspiro[5.5]undecan-3-yl}methanol
CID 145875902
(6-Oxaspiro(3.5)nonan-7-yl)methanol
CID 146155327
2,4,4-Trimethyloxan-3-ol
CID 90992688
5-(3-Ethyloxetan-3-yl)pentane-1,4-diol
CID 153997662
[(2S,3S,5R,6R)-3,5-diethyl-6-(hydroxymethyl)-4-methoxy-3,5-dimethyloxan-2-yl]methanol
CID 101878604
Tri-ethyl glyceryl ethanol
CID 129864529
[(2R,4R)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
CID 101141151
[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol
CID 101141152
1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol
CID 101141158
CID 101141164
CID 101141164
1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol
CID 101141165
1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol
CID 130129442

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol?
The IUPAC name of 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol (CID 139534748) is 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol.
What is the SMILES notation for 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol?
The canonical SMILES for 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol is CCC1(CCCCO)COC1CO.
What is the InChIKey of 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol?
The InChIKey is IIBGOMLAINHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-10(5-3-4-6-11)8-13-9(10)7-12/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol?
4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol is sourced from PubChem (CID 139534748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).