[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol

C8H14O4 — CID 102213220

IUPAC[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCOCO[C@H]1C[C@@H]2O[C@@H]2[C@@H]1CO
InChIInChI=1S/C8H14O4/c1-10-4-11-6-2-7-8(12-7)5(6)3-9/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKeyJPYMHIHSCHAKNP-VGRMVHKJSA-N
MW174.20 g/mol
LogP-0.24
Rot. Bonds4

About [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol

[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 102213220) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID102213220
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCOCO[C@H]1C[C@@H]2O[C@@H]2[C@@H]1CO
InChIInChI=1S/C8H14O4/c1-10-4-11-6-2-7-8(12-7)5(6)3-9/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKeyJPYMHIHSCHAKNP-VGRMVHKJSA-N
XLogP-0.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S,5S)-3-(2-hydroxyethoxy)-6-oxabicyclo[3.1.0]hexan-2-ol
CID 141351698
(6aR)-5-(methoxymethoxy)-4-(methoxymethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 122698821
[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 102213219
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118967664
2-(methoxymethoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
CID 59539834
(3R)-3-(methoxymethoxy)oxolan-2-ol
CID 11423676
(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
CID 134850656
[(3aR,5R,6S,6aR)-6-(methoxymethoxy)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11481710
(3aR,4R,7R,7aR)-4-(hydroxymethyl)-7-(methoxymethoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
CID 11054391
[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
CID 11023515
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol (CID 102213220) is [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol is COCO[C@H]1C[C@@H]2O[C@@H]2[C@@H]1CO.
What is the InChIKey of [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is JPYMHIHSCHAKNP-VGRMVHKJSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-4-11-6-2-7-8(12-7)5(6)3-9/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m1/s1.
What are the key properties of [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 174.20 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 102213220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).