methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

C7H10O3 — CID 13173315

IUPACmethyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)C1CC2OC2C1
InChIInChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3
InChIKeyVQWDWFRQNVCVBK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.34
Rot. Bonds1

About methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 13173315) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID13173315
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)C1CC2OC2C1
InChIInChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3
InChIKeyVQWDWFRQNVCVBK-UHFFFAOYSA-N
XLogP0.34
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,7-dioxabicyclo[4.1.0]heptane-4-carboxylate
CID 58683503
propan-2-yl (1R,5S)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 142358356
(1S,4S)-4-methoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 138633499
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
dimethyl 9-oxabicyclo[6.1.0]nonane-3,4-dicarboxylate
CID 163859276
2-methylprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 12000687
methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
CID 68685176
methyl 3,4,5-trimethoxycyclohexane-1-carboxylate
CID 121285425
trans-methyl (3R,4R)-3,4-di(propan-2-yl)cyclopentane-1-carboxylate
CID 59408300

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate (CID 13173315) is methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate is COC(=O)C1CC2OC2C1.
What is the InChIKey of methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is VQWDWFRQNVCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3.
What are the key properties of methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate?
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 13173315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).