4-(2-methoxypropyl)-3-methyloxetan-2-one

C8H14O3 — CID 21337451

IUPAC4-(2-methoxypropyl)-3-methyloxetan-2-one
SMILESCOC(C)CC1OC(=O)C1C
InChIInChI=1S/C8H14O3/c1-5(10-3)4-7-6(2)8(9)11-7/h5-7H,4H2,1-3H3
InChIKeyAWTLANMABFILIK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds3

About 4-(2-methoxypropyl)-3-methyloxetan-2-one

4-(2-methoxypropyl)-3-methyloxetan-2-one (PubChem CID 21337451) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-methoxypropyl)-3-methyloxetan-2-one.

Molecular Properties

Compound Name4-(2-methoxypropyl)-3-methyloxetan-2-one
PubChem CID21337451
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(2-methoxypropyl)-3-methyloxetan-2-one
SMILESCOC(C)CC1OC(=O)C1C
InChIInChI=1S/C8H14O3/c1-5(10-3)4-7-6(2)8(9)11-7/h5-7H,4H2,1-3H3
InChIKeyAWTLANMABFILIK-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropyl)-3-methyloxetan-2-one?
The IUPAC name of 4-(2-methoxypropyl)-3-methyloxetan-2-one (CID 21337451) is 4-(2-methoxypropyl)-3-methyloxetan-2-one.
What is the SMILES notation for 4-(2-methoxypropyl)-3-methyloxetan-2-one?
The canonical SMILES for 4-(2-methoxypropyl)-3-methyloxetan-2-one is COC(C)CC1OC(=O)C1C.
What is the InChIKey of 4-(2-methoxypropyl)-3-methyloxetan-2-one?
The InChIKey is AWTLANMABFILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(10-3)4-7-6(2)8(9)11-7/h5-7H,4H2,1-3H3.
What are the key properties of 4-(2-methoxypropyl)-3-methyloxetan-2-one?
4-(2-methoxypropyl)-3-methyloxetan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropyl)-3-methyloxetan-2-one is sourced from PubChem (CID 21337451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).