1-(1,4-dioxan-2-yl)decan-2-one

C14H26O3 — CID 162408424

IUPAC1-(1,4-dioxan-2-yl)decan-2-one
SMILESCCCCCCCCC(=O)CC1COCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-13(15)11-14-12-16-9-10-17-14/h14H,2-12H2,1H3
InChIKeySTSSDTHXFMLIND-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.11
Rot. Bonds9

About 1-(1,4-dioxan-2-yl)decan-2-one

1-(1,4-dioxan-2-yl)decan-2-one (PubChem CID 162408424) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)decan-2-one.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)decan-2-one
PubChem CID162408424
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-(1,4-dioxan-2-yl)decan-2-one
SMILESCCCCCCCCC(=O)CC1COCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-13(15)11-14-12-16-9-10-17-14/h14H,2-12H2,1H3
InChIKeySTSSDTHXFMLIND-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.11
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 1-(1,4-dioxan-2-yl)decan-2-one?
The IUPAC name of 1-(1,4-dioxan-2-yl)decan-2-one (CID 162408424) is 1-(1,4-dioxan-2-yl)decan-2-one.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)decan-2-one?
The canonical SMILES for 1-(1,4-dioxan-2-yl)decan-2-one is CCCCCCCCC(=O)CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)decan-2-one?
The InChIKey is STSSDTHXFMLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-13(15)11-14-12-16-9-10-17-14/h14H,2-12H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)decan-2-one?
1-(1,4-dioxan-2-yl)decan-2-one has a molecular weight of 242.36 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)decan-2-one is sourced from PubChem (CID 162408424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).