methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate

C7H10O3 — CID 130759832

IUPACmethyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate
SMILESC=C1C[C@H]1[C@H](O)C(=O)OC
InChIInChI=1S/C7H10O3/c1-4-3-5(4)6(8)7(9)10-2/h5-6,8H,1,3H2,2H3/t5-,6+/m1/s1
InChIKeyXWADZIOUGVYWOA-RITPCOANSA-N
MW142.15 g/mol
LogP0.10
Rot. Bonds2

About methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate

methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate (PubChem CID 130759832) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate
PubChem CID130759832
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate
SMILESC=C1C[C@H]1[C@H](O)C(=O)OC
InChIInChI=1S/C7H10O3/c1-4-3-5(4)6(8)7(9)10-2/h5-6,8H,1,3H2,2H3/t5-,6+/m1/s1
InChIKeyXWADZIOUGVYWOA-RITPCOANSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate?
The IUPAC name of methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate (CID 130759832) is methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate is C=C1C[C@H]1[C@H](O)C(=O)OC.
What is the InChIKey of methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate?
The InChIKey is XWADZIOUGVYWOA-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-5(4)6(8)7(9)10-2/h5-6,8H,1,3H2,2H3/t5-,6+/m1/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate?
methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate has a molecular weight of 142.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-[(1R)-2-methylidenecyclopropyl]acetate is sourced from PubChem (CID 130759832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).