propyl 2H-oxete-3-carboxylate

C7H10O3 — CID 54467668

IUPACpropyl 2H-oxete-3-carboxylate
SMILESCCCOC(=O)C1=COC1
InChIInChI=1S/C7H10O3/c1-2-3-10-7(8)6-4-9-5-6/h4H,2-3,5H2,1H3
InChIKeyXGBXOZYBTOAQES-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds3

About propyl 2H-oxete-3-carboxylate

propyl 2H-oxete-3-carboxylate (PubChem CID 54467668) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is propyl 2H-oxete-3-carboxylate.

Molecular Properties

Compound Namepropyl 2H-oxete-3-carboxylate
PubChem CID54467668
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namepropyl 2H-oxete-3-carboxylate
SMILESCCCOC(=O)C1=COC1
InChIInChI=1S/C7H10O3/c1-2-3-10-7(8)6-4-9-5-6/h4H,2-3,5H2,1H3
InChIKeyXGBXOZYBTOAQES-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-oxocyclopentene-1-carboxylate
CID 102436268
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
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CID 66809374
dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
CID 66858398
propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
CID 67461618
propyl 4-hydroxybenzoate
CID 66683808
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952
propyl (3S)-3-amino-3-methyl-2H-1,2-oxazole-4-carboxylate
CID 70611900
propyl 2-hydroxyfuran-3-carboxylate
CID 137072209
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799

Frequently Asked Questions

What is the IUPAC name of propyl 2H-oxete-3-carboxylate?
The IUPAC name of propyl 2H-oxete-3-carboxylate (CID 54467668) is propyl 2H-oxete-3-carboxylate.
What is the SMILES notation for propyl 2H-oxete-3-carboxylate?
The canonical SMILES for propyl 2H-oxete-3-carboxylate is CCCOC(=O)C1=COC1.
What is the InChIKey of propyl 2H-oxete-3-carboxylate?
The InChIKey is XGBXOZYBTOAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-10-7(8)6-4-9-5-6/h4H,2-3,5H2,1H3.
What are the key properties of propyl 2H-oxete-3-carboxylate?
propyl 2H-oxete-3-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2H-oxete-3-carboxylate is sourced from PubChem (CID 54467668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).