(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol

C7H12O3 — CID 130977558

IUPAC(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
SMILESCO[C@@]12CC[C@@H]1[C@H](O)CO2
InChIInChI=1S/C7H12O3/c1-9-7-3-2-5(7)6(8)4-10-7/h5-6,8H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyNYIMHUKPSPETEC-FSDSQADBSA-N
MW144.17 g/mol
LogP0.13
Rot. Bonds1

About (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol

(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol (PubChem CID 130977558) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol.

Molecular Properties

Compound Name(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
PubChem CID130977558
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
SMILESCO[C@@]12CC[C@@H]1[C@H](O)CO2
InChIInChI=1S/C7H12O3/c1-9-7-3-2-5(7)6(8)4-10-7/h5-6,8H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyNYIMHUKPSPETEC-FSDSQADBSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 101231917
2-cyclopropyl-2-methoxyoxolane
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2-methoxy-2-(2-methylcyclohexyl)oxirane
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(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
CID 167690761
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(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol
CID 89169125
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CID 54277163
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(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol?
The IUPAC name of (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol (CID 130977558) is (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol.
What is the SMILES notation for (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol?
The canonical SMILES for (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol is CO[C@@]12CC[C@@H]1[C@H](O)CO2.
What is the InChIKey of (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol?
The InChIKey is NYIMHUKPSPETEC-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7-3-2-5(7)6(8)4-10-7/h5-6,8H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol?
(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol has a molecular weight of 144.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol is sourced from PubChem (CID 130977558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).