(4R)-4-nonoxyoxetan-2-one

C12H22O3 — CID 175477617

IUPAC(4R)-4-nonoxyoxetan-2-one
SMILESCCCCCCCCCO[C@H]1CC(=O)O1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-14-12-10-11(13)15-12/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyPILVKLLXPVYRKQ-GFCCVEGCSA-N
MW214.30 g/mol
LogP3.03
Rot. Bonds9

About (4R)-4-nonoxyoxetan-2-one

(4R)-4-nonoxyoxetan-2-one (PubChem CID 175477617) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (4R)-4-nonoxyoxetan-2-one.

Molecular Properties

Compound Name(4R)-4-nonoxyoxetan-2-one
PubChem CID175477617
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(4R)-4-nonoxyoxetan-2-one
SMILESCCCCCCCCCO[C@H]1CC(=O)O1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-14-12-10-11(13)15-12/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyPILVKLLXPVYRKQ-GFCCVEGCSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-nonoxyoxetan-2-one?
The IUPAC name of (4R)-4-nonoxyoxetan-2-one (CID 175477617) is (4R)-4-nonoxyoxetan-2-one.
What is the SMILES notation for (4R)-4-nonoxyoxetan-2-one?
The canonical SMILES for (4R)-4-nonoxyoxetan-2-one is CCCCCCCCCO[C@H]1CC(=O)O1.
What is the InChIKey of (4R)-4-nonoxyoxetan-2-one?
The InChIKey is PILVKLLXPVYRKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-14-12-10-11(13)15-12/h12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-4-nonoxyoxetan-2-one?
(4R)-4-nonoxyoxetan-2-one has a molecular weight of 214.30 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-nonoxyoxetan-2-one is sourced from PubChem (CID 175477617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).