[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol

C8H14O3 — CID 138039579

IUPAC[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
SMILESCOCC12COC(CO)(C1)C2
InChIInChI=1S/C8H14O3/c1-10-5-7-2-8(3-7,4-9)11-6-7/h9H,2-6H2,1H3
InChIKeyOQPPTJKYPSNRGA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.17
Rot. Bonds3

About [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol

[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol (PubChem CID 138039579) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
PubChem CID138039579
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
SMILESCOCC12COC(CO)(C1)C2
InChIInChI=1S/C8H14O3/c1-10-5-7-2-8(3-7,4-9)11-6-7/h9H,2-6H2,1H3
InChIKeyOQPPTJKYPSNRGA-UHFFFAOYSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol with MolForge

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Related Compounds

(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
CID 138039578
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
2-methoxy-2-(methoxymethyl)oxirane
CID 172789195
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154856939
4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
CID 3046039
[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 155893295
3-(methoxymethyl)oxetan-3-ol
CID 105427130
(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 154853019
3-(methoxymethyl)-N-methylbicyclo[1.1.1]pentan-1-amine
CID 155893071
[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexan-4-yl]methyl methanesulfonate
CID 164902219

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol (CID 138039579) is [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol is COCC12COC(CO)(C1)C2.
What is the InChIKey of [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol?
The InChIKey is OQPPTJKYPSNRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-5-7-2-8(3-7,4-9)11-6-7/h9H,2-6H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol?
[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol is sourced from PubChem (CID 138039579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).