[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate

C19H38O7 — CID 141249706

IUPAC[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCOC(COCCO)OC(=O)C(O)CO
InChIInChI=1S/C19H38O7/c1-2-3-4-5-6-7-8-9-10-11-13-25-18(16-24-14-12-20)26-19(23)17(22)15-21/h17-18,20-22H,2-16H2,1H3
InChIKeyUCVCJDBJCRWSGJ-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.16
Rot. Bonds19

About [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate

[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate (PubChem CID 141249706) has the molecular formula C19H38O7 and a molecular weight of 378.51 g/mol. Its IUPAC name is [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate
PubChem CID141249706
Molecular FormulaC19H38O7
Molecular Weight378.51 g/mol
Exact Mass378.26
IUPAC Name[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate
SMILESCCCCCCCCCCCCOC(COCCO)OC(=O)C(O)CO
InChIInChI=1S/C19H38O7/c1-2-3-4-5-6-7-8-9-10-11-13-25-18(16-24-14-12-20)26-19(23)17(22)15-21/h17-18,20-22H,2-16H2,1H3
InChIKeyUCVCJDBJCRWSGJ-UHFFFAOYSA-N
XLogP2.16
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate 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

tetradecyl 2,3-dihydroxypropanoate
CID 23624049
tridecyl 2,3-dihydroxypropanoate
CID 141488973
[1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] prop-2-enoate
CID 22178992
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate
CID 141128540
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
2-(1,2-dibutoxyethoxy)ethanol
CID 57055160
bis(1,2-dibutoxyethyl) decanedioate
CID 174729483
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
2,3-dioctadecoxypropyl 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 147919368
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515

Frequently Asked Questions

What is the IUPAC name of [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate?
The IUPAC name of [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate (CID 141249706) is [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate.
What is the SMILES notation for [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate?
The canonical SMILES for [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate is CCCCCCCCCCCCOC(COCCO)OC(=O)C(O)CO.
What is the InChIKey of [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate?
The InChIKey is UCVCJDBJCRWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O7/c1-2-3-4-5-6-7-8-9-10-11-13-25-18(16-24-14-12-20)26-19(23)17(22)15-21/h17-18,20-22H,2-16H2,1H3.
What are the key properties of [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate?
[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate has a molecular weight of 378.51 g/mol, XLogP of 2.16, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate is sourced from PubChem (CID 141249706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).