12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid

C20H40O5 — CID 175760770

IUPAC12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCC(OCCO)C(=O)O
InChIInChI=1S/C20H40O5/c1-2-3-4-10-13-18(22)14-11-8-6-5-7-9-12-15-19(20(23)24)25-17-16-21/h18-19,21-22H,2-17H2,1H3,(H,23,24)
InChIKeyVZPYWBBQLBFKCJ-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.29
Rot. Bonds19

About 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid

12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid (PubChem CID 175760770) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid.

Molecular Properties

Compound Name12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
PubChem CID175760770
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCC(OCCO)C(=O)O
InChIInChI=1S/C20H40O5/c1-2-3-4-10-13-18(22)14-11-8-6-5-7-9-12-15-19(20(23)24)25-17-16-21/h18-19,21-22H,2-17H2,1H3,(H,23,24)
InChIKeyVZPYWBBQLBFKCJ-UHFFFAOYSA-N
XLogP4.29
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-decoxydecanoic acid
CID 152638766
2-ethoxyicosanoic acid
CID 86106777
octadecyl 2-(2-hydroxyethoxy)icosanoate
CID 175005154
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
2-(2-hydroxyoctanoyloxy)decanoic acid
CID 57111735
2-(2-hydroxyhexadecanoyloxy)hexadecanoic acid
CID 54201364
2-methoxypentacosanoic acid
CID 10476799
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid?
The IUPAC name of 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid (CID 175760770) is 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid.
What is the SMILES notation for 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid?
The canonical SMILES for 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid is CCCCCCC(O)CCCCCCCCCC(OCCO)C(=O)O.
What is the InChIKey of 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid?
The InChIKey is VZPYWBBQLBFKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-2-3-4-10-13-18(22)14-11-8-6-5-7-9-12-15-19(20(23)24)25-17-16-21/h18-19,21-22H,2-17H2,1H3,(H,23,24).
What are the key properties of 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid?
12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid has a molecular weight of 360.54 g/mol, XLogP of 4.29, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid is sourced from PubChem (CID 175760770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).