[2-(hydroxyiminomethyl)oxolan-2-yl]methanol

C6H11NO3 — CID 154513492

IUPAC[2-(hydroxyiminomethyl)oxolan-2-yl]methanol
SMILESOCC1(C=NO)CCCO1
InChIInChI=1S/C6H11NO3/c8-5-6(4-7-9)2-1-3-10-6/h4,8-9H,1-3,5H2
InChIKeyRRHWYENSGODLKI-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.01
Rot. Bonds2

About [2-(hydroxyiminomethyl)oxolan-2-yl]methanol

[2-(hydroxyiminomethyl)oxolan-2-yl]methanol (PubChem CID 154513492) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [2-(hydroxyiminomethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxyiminomethyl)oxolan-2-yl]methanol
PubChem CID154513492
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[2-(hydroxyiminomethyl)oxolan-2-yl]methanol
SMILESOCC1(C=NO)CCCO1
InChIInChI=1S/C6H11NO3/c8-5-6(4-7-9)2-1-3-10-6/h4,8-9H,1-3,5H2
InChIKeyRRHWYENSGODLKI-UHFFFAOYSA-N
XLogP-0.01
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyloxolane-2-carbaldehyde
CID 165476107
(2-cyclohexyloxolan-2-yl)methanol
CID 130689922
(2-propan-2-yloxolan-2-yl)methanol
CID 130663266
2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid
CID 57203496
(2-benzyloxolan-2-yl)methanol
CID 126987678
[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol
CID 130609951
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
CID 15162522
[2-(propan-2-ylamino)oxolan-2-yl]methanol
CID 146535477
[(2S)-2-ethenyloxiran-2-yl]methanol
CID 131089361
N-[(1-tert-butylcyclohexyl)methylidene]hydroxylamine
CID 174911020
[2-[(1-methylcyclopentyl)methyl]oxolan-2-yl]methanol
CID 130609963
(NE)-N-[(1-piperidin-1-ylcyclopentyl)methylidene]hydroxylamine
CID 134992638

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyiminomethyl)oxolan-2-yl]methanol?
The IUPAC name of [2-(hydroxyiminomethyl)oxolan-2-yl]methanol (CID 154513492) is [2-(hydroxyiminomethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [2-(hydroxyiminomethyl)oxolan-2-yl]methanol?
The canonical SMILES for [2-(hydroxyiminomethyl)oxolan-2-yl]methanol is OCC1(C=NO)CCCO1.
What is the InChIKey of [2-(hydroxyiminomethyl)oxolan-2-yl]methanol?
The InChIKey is RRHWYENSGODLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-6(4-7-9)2-1-3-10-6/h4,8-9H,1-3,5H2.
What are the key properties of [2-(hydroxyiminomethyl)oxolan-2-yl]methanol?
[2-(hydroxyiminomethyl)oxolan-2-yl]methanol has a molecular weight of 145.16 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyiminomethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 154513492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).