methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate

C9H14O3 — CID 11137551

IUPACmethyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate
SMILESC=C1CCC[C@H]1[C@@H](O)C(=O)OC
InChIInChI=1S/C9H14O3/c1-6-4-3-5-7(6)8(10)9(11)12-2/h7-8,10H,1,3-5H2,2H3/t7-,8-/m1/s1
InChIKeyDHOHUQHUDMOFQT-HTQZYQBOSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds2

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

methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate (PubChem CID 11137551) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate
PubChem CID11137551
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate
SMILESC=C1CCC[C@H]1[C@@H](O)C(=O)OC
InChIInChI=1S/C9H14O3/c1-6-4-3-5-7(6)8(10)9(11)12-2/h7-8,10H,1,3-5H2,2H3/t7-,8-/m1/s1
InChIKeyDHOHUQHUDMOFQT-HTQZYQBOSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
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 (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate (CID 11137551) is methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate is C=C1CCC[C@H]1[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate?
The InChIKey is DHOHUQHUDMOFQT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-4-3-5-7(6)8(10)9(11)12-2/h7-8,10H,1,3-5H2,2H3/t7-,8-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate?
methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate has a molecular weight of 170.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate is sourced from PubChem (CID 11137551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).