propyl 4-cyclopentyl-4-hydroxybutanoate

C12H22O3 — CID 62071388

IUPACpropyl 4-cyclopentyl-4-hydroxybutanoate
SMILESCCCOC(=O)CCC(O)C1CCCC1
InChIInChI=1S/C12H22O3/c1-2-9-15-12(14)8-7-11(13)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyRPCMJWVZGGZWJA-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.27
Rot. Bonds6

About propyl 4-cyclopentyl-4-hydroxybutanoate

propyl 4-cyclopentyl-4-hydroxybutanoate (PubChem CID 62071388) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is propyl 4-cyclopentyl-4-hydroxybutanoate.

Molecular Properties

Compound Namepropyl 4-cyclopentyl-4-hydroxybutanoate
PubChem CID62071388
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namepropyl 4-cyclopentyl-4-hydroxybutanoate
SMILESCCCOC(=O)CCC(O)C1CCCC1
InChIInChI=1S/C12H22O3/c1-2-9-15-12(14)8-7-11(13)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyRPCMJWVZGGZWJA-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
butyl 4-hydroxy-4-(oxan-3-yl)butanoate
CID 63739101
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
dipropyl 2-hydroxypentanedioate
CID 141161532
propyl 3-cyclopentylpropanoate
CID 43389546
ethyl 4-(4-tert-butylcyclohexyl)-4-hydroxybutanoate
CID 104575831
1-cyclobutyl-3-propoxypropan-1-ol
CID 105130749
propyl 2-amino-2-cyclohexylacetate
CID 61016884
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
1-O-butyl 4-O-(1-cyclopentylethyl) butanedioate
CID 91702667
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate
CID 3017623

Frequently Asked Questions

What is the IUPAC name of propyl 4-cyclopentyl-4-hydroxybutanoate?
The IUPAC name of propyl 4-cyclopentyl-4-hydroxybutanoate (CID 62071388) is propyl 4-cyclopentyl-4-hydroxybutanoate.
What is the SMILES notation for propyl 4-cyclopentyl-4-hydroxybutanoate?
The canonical SMILES for propyl 4-cyclopentyl-4-hydroxybutanoate is CCCOC(=O)CCC(O)C1CCCC1.
What is the InChIKey of propyl 4-cyclopentyl-4-hydroxybutanoate?
The InChIKey is RPCMJWVZGGZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-9-15-12(14)8-7-11(13)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of propyl 4-cyclopentyl-4-hydroxybutanoate?
propyl 4-cyclopentyl-4-hydroxybutanoate has a molecular weight of 214.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-cyclopentyl-4-hydroxybutanoate is sourced from PubChem (CID 62071388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).