12-(oxan-2-yloxy)dodecan-2-one

C17H32O3 — CID 10401637

IUPAC12-(oxan-2-yloxy)dodecan-2-one
SMILESCC(=O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H32O3/c1-16(18)12-8-6-4-2-3-5-7-10-14-19-17-13-9-11-15-20-17/h17H,2-15H2,1H3
InChIKeyBTGUAIQDHCVKCK-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.63
Rot. Bonds12

About 12-(oxan-2-yloxy)dodecan-2-one

12-(oxan-2-yloxy)dodecan-2-one (PubChem CID 10401637) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 12-(oxan-2-yloxy)dodecan-2-one.

Molecular Properties

Compound Name12-(oxan-2-yloxy)dodecan-2-one
PubChem CID10401637
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name12-(oxan-2-yloxy)dodecan-2-one
SMILESCC(=O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H32O3/c1-16(18)12-8-6-4-2-3-5-7-10-14-19-17-13-9-11-15-20-17/h17H,2-15H2,1H3
InChIKeyBTGUAIQDHCVKCK-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.63
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 12-(oxan-2-yloxy)dodecan-2-one?
The IUPAC name of 12-(oxan-2-yloxy)dodecan-2-one (CID 10401637) is 12-(oxan-2-yloxy)dodecan-2-one.
What is the SMILES notation for 12-(oxan-2-yloxy)dodecan-2-one?
The canonical SMILES for 12-(oxan-2-yloxy)dodecan-2-one is CC(=O)CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 12-(oxan-2-yloxy)dodecan-2-one?
The InChIKey is BTGUAIQDHCVKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-16(18)12-8-6-4-2-3-5-7-10-14-19-17-13-9-11-15-20-17/h17H,2-15H2,1H3.
What are the key properties of 12-(oxan-2-yloxy)dodecan-2-one?
12-(oxan-2-yloxy)dodecan-2-one has a molecular weight of 284.44 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(oxan-2-yloxy)dodecan-2-one is sourced from PubChem (CID 10401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).