methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate

C10H18O3 — CID 101092624

IUPACmethyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(C)C)CC[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6(2)7-4-5-8(11)9(7)10(12)13-3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyUBKFSHMSCIKZEV-HRDYMLBCSA-N
MW186.25 g/mol
LogP1.20
Rot. Bonds2

About methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate

methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 101092624) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate
PubChem CID101092624
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(C)C)CC[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6(2)7-4-5-8(11)9(7)10(12)13-3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyUBKFSHMSCIKZEV-HRDYMLBCSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate (CID 101092624) is methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate is COC(=O)[C@@H]1[C@@H](C(C)C)CC[C@@H]1O.
What is the InChIKey of methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is UBKFSHMSCIKZEV-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)7-4-5-8(11)9(7)10(12)13-3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate?
methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5R)-2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 101092624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).