1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol

C16H32O4 — CID 13379201

IUPAC1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
SMILESCCCCCCCCCCCC1OCC(C(O)CO)O1
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-19-13-15(20-16)14(18)12-17/h14-18H,2-13H2,1H3
InChIKeyPERUXWAVYSEXRG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.00
Rot. Bonds12

About 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol

1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol (PubChem CID 13379201) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
PubChem CID13379201
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
SMILESCCCCCCCCCCCC1OCC(C(O)CO)O1
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-19-13-15(20-16)14(18)12-17/h14-18H,2-13H2,1H3
InChIKeyPERUXWAVYSEXRG-UHFFFAOYSA-N
XLogP3.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentadecyl-4-propan-2-yl-1,3-dioxolane
CID 575374
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
4-propan-2-yl-2-propyl-1,3-dioxolane
CID 89076429
(2R)-2-octadecyloxirane
CID 98043533

Frequently Asked Questions

What is the IUPAC name of 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol (CID 13379201) is 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol is CCCCCCCCCCCC1OCC(C(O)CO)O1.
What is the InChIKey of 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol?
The InChIKey is PERUXWAVYSEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-19-13-15(20-16)14(18)12-17/h14-18H,2-13H2,1H3.
What are the key properties of 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol?
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol has a molecular weight of 288.43 g/mol, XLogP of 3.00, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol is sourced from PubChem (CID 13379201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).