propan-2-yl 2-(3-hydroxycyclopentyl)acetate

C10H18O3 — CID 146448446

IUPACpropan-2-yl 2-(3-hydroxycyclopentyl)acetate
SMILESCC(C)OC(=O)CC1CCC(O)C1
InChIInChI=1S/C10H18O3/c1-7(2)13-10(12)6-8-3-4-9(11)5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyWLUFXDIMSROPOV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds3

About propan-2-yl 2-(3-hydroxycyclopentyl)acetate

propan-2-yl 2-(3-hydroxycyclopentyl)acetate (PubChem CID 146448446) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl 2-(3-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-hydroxycyclopentyl)acetate
PubChem CID146448446
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namepropan-2-yl 2-(3-hydroxycyclopentyl)acetate
SMILESCC(C)OC(=O)CC1CCC(O)C1
InChIInChI=1S/C10H18O3/c1-7(2)13-10(12)6-8-3-4-9(11)5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyWLUFXDIMSROPOV-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-hydroxycyclopentyl)acetate?
The IUPAC name of propan-2-yl 2-(3-hydroxycyclopentyl)acetate (CID 146448446) is propan-2-yl 2-(3-hydroxycyclopentyl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-hydroxycyclopentyl)acetate?
The canonical SMILES for propan-2-yl 2-(3-hydroxycyclopentyl)acetate is CC(C)OC(=O)CC1CCC(O)C1.
What is the InChIKey of propan-2-yl 2-(3-hydroxycyclopentyl)acetate?
The InChIKey is WLUFXDIMSROPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)13-10(12)6-8-3-4-9(11)5-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-hydroxycyclopentyl)acetate?
propan-2-yl 2-(3-hydroxycyclopentyl)acetate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-hydroxycyclopentyl)acetate is sourced from PubChem (CID 146448446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).