2-(3-hydroxypropyl)adamantan-2-ol

C13H22O2 — CID 14913337

IUPAC2-(3-hydroxypropyl)adamantan-2-ol
SMILESOCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22O2/c14-3-1-2-13(15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14-15H,1-8H2
InChIKeyDHOVYTKQXIJOMQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-hydroxypropyl)adamantan-2-ol

2-(3-hydroxypropyl)adamantan-2-ol (PubChem CID 14913337) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)adamantan-2-ol
PubChem CID14913337
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(3-hydroxypropyl)adamantan-2-ol
SMILESOCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22O2/c14-3-1-2-13(15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14-15H,1-8H2
InChIKeyDHOVYTKQXIJOMQ-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)adamantan-2-ol?
The IUPAC name of 2-(3-hydroxypropyl)adamantan-2-ol (CID 14913337) is 2-(3-hydroxypropyl)adamantan-2-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)adamantan-2-ol?
The canonical SMILES for 2-(3-hydroxypropyl)adamantan-2-ol is OCCCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(3-hydroxypropyl)adamantan-2-ol?
The InChIKey is DHOVYTKQXIJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-3-1-2-13(15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14-15H,1-8H2.
What are the key properties of 2-(3-hydroxypropyl)adamantan-2-ol?
2-(3-hydroxypropyl)adamantan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)adamantan-2-ol is sourced from PubChem (CID 14913337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).