propyl 3-methyloxolane-2-carboxylate

C9H16O3 — CID 81433606

IUPACpropyl 3-methyloxolane-2-carboxylate
SMILESCCCOC(=O)C1OCCC1C
InChIInChI=1S/C9H16O3/c1-3-5-12-9(10)8-7(2)4-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyYUDMHRKHQHEREV-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds3

About propyl 3-methyloxolane-2-carboxylate

propyl 3-methyloxolane-2-carboxylate (PubChem CID 81433606) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is propyl 3-methyloxolane-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-methyloxolane-2-carboxylate
PubChem CID81433606
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namepropyl 3-methyloxolane-2-carboxylate
SMILESCCCOC(=O)C1OCCC1C
InChIInChI=1S/C9H16O3/c1-3-5-12-9(10)8-7(2)4-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyYUDMHRKHQHEREV-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propyl 3-methyloxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-ynyl 3-methyloxolane-2-carboxylate
CID 130622028
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
dipropyl oxirane-2,3-dicarboxylate
CID 58624990
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
1-(3-methyloxolan-2-yl)nonan-1-one
CID 114966839
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
cyclohexyl-(3-methyloxolan-2-yl)methanone
CID 114962159
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323

Frequently Asked Questions

What is the IUPAC name of propyl 3-methyloxolane-2-carboxylate?
The IUPAC name of propyl 3-methyloxolane-2-carboxylate (CID 81433606) is propyl 3-methyloxolane-2-carboxylate.
What is the SMILES notation for propyl 3-methyloxolane-2-carboxylate?
The canonical SMILES for propyl 3-methyloxolane-2-carboxylate is CCCOC(=O)C1OCCC1C.
What is the InChIKey of propyl 3-methyloxolane-2-carboxylate?
The InChIKey is YUDMHRKHQHEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-12-9(10)8-7(2)4-6-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propyl 3-methyloxolane-2-carboxylate?
propyl 3-methyloxolane-2-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-methyloxolane-2-carboxylate is sourced from PubChem (CID 81433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).