propan-2-yl 3-cyclopropyl-3-hydroxypropanoate

C9H16O3 — CID 171366843

IUPACpropan-2-yl 3-cyclopropyl-3-hydroxypropanoate
SMILESCC(C)OC(=O)CC(O)C1CC1
InChIInChI=1S/C9H16O3/c1-6(2)12-9(11)5-8(10)7-3-4-7/h6-8,10H,3-5H2,1-2H3
InChIKeyYIALQDWQXRMDDO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds4

About propan-2-yl 3-cyclopropyl-3-hydroxypropanoate

propan-2-yl 3-cyclopropyl-3-hydroxypropanoate (PubChem CID 171366843) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is propan-2-yl 3-cyclopropyl-3-hydroxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-cyclopropyl-3-hydroxypropanoate
PubChem CID171366843
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namepropan-2-yl 3-cyclopropyl-3-hydroxypropanoate
SMILESCC(C)OC(=O)CC(O)C1CC1
InChIInChI=1S/C9H16O3/c1-6(2)12-9(11)5-8(10)7-3-4-7/h6-8,10H,3-5H2,1-2H3
InChIKeyYIALQDWQXRMDDO-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-cyclopropyl-5-methyl-4-oxohexanoate
CID 157307312
methyl 3-(4-ethylcyclohexyl)-3-hydroxypropanoate
CID 148778658
dicyclopropylmethyl 3-methylbutanoate
CID 58845712
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231
propan-2-yl (3S)-4-bromo-3-hydroxybutanoate
CID 141383142
(1S)-1-cyclopropyl-1-hydroxy-4,4-dimethylpentan-3-one
CID 167352172
propan-2-yl 3-hydroxy-4-iodobutanoate
CID 54548727
dipropan-2-yl 2-(cyclopentylmethyl)butanedioate
CID 143172660
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
propan-2-yl 4,4,4-trichloro-3-methylbutanoate
CID 134975622
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-cyclopropyl-3-hydroxypropanoate?
The IUPAC name of propan-2-yl 3-cyclopropyl-3-hydroxypropanoate (CID 171366843) is propan-2-yl 3-cyclopropyl-3-hydroxypropanoate.
What is the SMILES notation for propan-2-yl 3-cyclopropyl-3-hydroxypropanoate?
The canonical SMILES for propan-2-yl 3-cyclopropyl-3-hydroxypropanoate is CC(C)OC(=O)CC(O)C1CC1.
What is the InChIKey of propan-2-yl 3-cyclopropyl-3-hydroxypropanoate?
The InChIKey is YIALQDWQXRMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)12-9(11)5-8(10)7-3-4-7/h6-8,10H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 3-cyclopropyl-3-hydroxypropanoate?
propan-2-yl 3-cyclopropyl-3-hydroxypropanoate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-cyclopropyl-3-hydroxypropanoate is sourced from PubChem (CID 171366843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).