4-nonan-3-yl-1,3-dioxolan-2-one

C12H22O3 — CID 155337113

IUPAC4-nonan-3-yl-1,3-dioxolan-2-one
SMILESCCCCCCC(CC)C1COC(=O)O1
InChIInChI=1S/C12H22O3/c1-3-5-6-7-8-10(4-2)11-9-14-12(13)15-11/h10-11H,3-9H2,1-2H3
InChIKeyCMXQEFIQWHGZFE-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.52
Rot. Bonds7

About 4-nonan-3-yl-1,3-dioxolan-2-one

4-nonan-3-yl-1,3-dioxolan-2-one (PubChem CID 155337113) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-nonan-3-yl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-nonan-3-yl-1,3-dioxolan-2-one
PubChem CID155337113
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-nonan-3-yl-1,3-dioxolan-2-one
SMILESCCCCCCC(CC)C1COC(=O)O1
InChIInChI=1S/C12H22O3/c1-3-5-6-7-8-10(4-2)11-9-14-12(13)15-11/h10-11H,3-9H2,1-2H3
InChIKeyCMXQEFIQWHGZFE-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nonan-3-yl-1,3-dioxolan-2-one?
The IUPAC name of 4-nonan-3-yl-1,3-dioxolan-2-one (CID 155337113) is 4-nonan-3-yl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-nonan-3-yl-1,3-dioxolan-2-one?
The canonical SMILES for 4-nonan-3-yl-1,3-dioxolan-2-one is CCCCCCC(CC)C1COC(=O)O1.
What is the InChIKey of 4-nonan-3-yl-1,3-dioxolan-2-one?
The InChIKey is CMXQEFIQWHGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-5-6-7-8-10(4-2)11-9-14-12(13)15-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-nonan-3-yl-1,3-dioxolan-2-one?
4-nonan-3-yl-1,3-dioxolan-2-one has a molecular weight of 214.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonan-3-yl-1,3-dioxolan-2-one is sourced from PubChem (CID 155337113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).