6-(hydroxymethyl)-6-undecyloxan-2-one

C17H32O3 — CID 11832971

IUPAC6-(hydroxymethyl)-6-undecyloxan-2-one
SMILESCCCCCCCCCCCC1(CO)CCCC(=O)O1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3
InChIKeyNLAYXWYCDWDTBF-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.37
Rot. Bonds11

About 6-(hydroxymethyl)-6-undecyloxan-2-one

6-(hydroxymethyl)-6-undecyloxan-2-one (PubChem CID 11832971) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6-undecyloxan-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-6-undecyloxan-2-one
PubChem CID11832971
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name6-(hydroxymethyl)-6-undecyloxan-2-one
SMILESCCCCCCCCCCCC1(CO)CCCC(=O)O1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3
InChIKeyNLAYXWYCDWDTBF-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
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 6-(hydroxymethyl)-6-undecyloxan-2-one?
The IUPAC name of 6-(hydroxymethyl)-6-undecyloxan-2-one (CID 11832971) is 6-(hydroxymethyl)-6-undecyloxan-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-6-undecyloxan-2-one?
The canonical SMILES for 6-(hydroxymethyl)-6-undecyloxan-2-one is CCCCCCCCCCCC1(CO)CCCC(=O)O1.
What is the InChIKey of 6-(hydroxymethyl)-6-undecyloxan-2-one?
The InChIKey is NLAYXWYCDWDTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3.
What are the key properties of 6-(hydroxymethyl)-6-undecyloxan-2-one?
6-(hydroxymethyl)-6-undecyloxan-2-one has a molecular weight of 284.44 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6-undecyloxan-2-one is sourced from PubChem (CID 11832971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).