2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one

C19H37NO4 — CID 90790032

IUPAC2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one
SMILESCC(CCCCCCCCCOCCN(C)C)C1OCC(=O)CO1
InChIInChI=1S/C19H37NO4/c1-17(19-23-15-18(21)16-24-19)11-9-7-5-4-6-8-10-13-22-14-12-20(2)3/h17,19H,4-16H2,1-3H3
InChIKeyPRSRRIVLPPNTJB-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.26
Rot. Bonds14

About 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one

2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one (PubChem CID 90790032) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one.

Molecular Properties

Compound Name2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one
PubChem CID90790032
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one
SMILESCC(CCCCCCCCCOCCN(C)C)C1OCC(=O)CO1
InChIInChI=1S/C19H37NO4/c1-17(19-23-15-18(21)16-24-19)11-9-7-5-4-6-8-10-13-22-14-12-20(2)3/h17,19H,4-16H2,1-3H3
InChIKeyPRSRRIVLPPNTJB-UHFFFAOYSA-N
XLogP3.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
N-(dicyclopropylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 107094173
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
2-[2-(dimethylamino)ethoxy]-2-tridecyl-1,3-dioxan-5-one
CID 68852721
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281

Frequently Asked Questions

What is the IUPAC name of 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one?
The IUPAC name of 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one (CID 90790032) is 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one.
What is the SMILES notation for 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one?
The canonical SMILES for 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one is CC(CCCCCCCCCOCCN(C)C)C1OCC(=O)CO1.
What is the InChIKey of 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one?
The InChIKey is PRSRRIVLPPNTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-17(19-23-15-18(21)16-24-19)11-9-7-5-4-6-8-10-13-22-14-12-20(2)3/h17,19H,4-16H2,1-3H3.
What are the key properties of 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one?
2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one has a molecular weight of 343.51 g/mol, XLogP of 3.26, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[2-(dimethylamino)ethoxy]undecan-2-yl]-1,3-dioxan-5-one is sourced from PubChem (CID 90790032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).