2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol

C18H32O4 — CID 24784662

IUPAC2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol
SMILESOCCC12CC3(CCO)CC(CCO)(C1)CC(CCO)(C2)C3
InChIInChI=1S/C18H32O4/c19-5-1-15-9-16(2-6-20)12-17(10-15,3-7-21)14-18(11-15,13-16)4-8-22/h19-22H,1-14H2
InChIKeyWAMBQEDOVJEVFW-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.84
Rot. Bonds8

About 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol

2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol (PubChem CID 24784662) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol.

Molecular Properties

Compound Name2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol
PubChem CID24784662
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol
SMILESOCCC12CC3(CCO)CC(CCO)(C1)CC(CCO)(C2)C3
InChIInChI=1S/C18H32O4/c19-5-1-15-9-16(2-6-20)12-17(10-15,3-7-21)14-18(11-15,13-16)4-8-22/h19-22H,1-14H2
InChIKeyWAMBQEDOVJEVFW-UHFFFAOYSA-N
XLogP1.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol?
The IUPAC name of 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol (CID 24784662) is 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol.
What is the SMILES notation for 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol?
The canonical SMILES for 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol is OCCC12CC3(CCO)CC(CCO)(C1)CC(CCO)(C2)C3.
What is the InChIKey of 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol?
The InChIKey is WAMBQEDOVJEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c19-5-1-15-9-16(2-6-20)12-17(10-15,3-7-21)14-18(11-15,13-16)4-8-22/h19-22H,1-14H2.
What are the key properties of 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol?
2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol has a molecular weight of 312.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol is sourced from PubChem (CID 24784662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).