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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Related Compounds

Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol
CID 64556
2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol
CID 110810
1,3-Adamantanedimethanol
CID 703011
3,5-Dimethyl-1-adamantanemethanol
CID 4050097
2-(1-Adamantyl)propanol
CID 64286
(2R)-2-(1-adamantyl)-2-fluoroethanol
CID 11159935
2,2'-(Adamantane-1,3-diyl)diethanol
CID 2829880
2-[3-(Hydroxymethyl)-1-adamantyl]ethanol
CID 4444234
(5,7-Dimethyladamantane-1,3-diyl)dimethanol
CID 4550710
(2S)-2-(1-adamantyl)-2-fluoroethanol
CID 101741619
2-(1-Adamantyl)-2-methylpropan-1-ol
CID 4167306
(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol
CID 15263672

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).