2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol

C16H28O2 — CID 70233959

IUPAC2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol
SMILESCC(C)(O)C12CCCC1(C(C)(C)O)C1CCC2C1
InChIInChI=1S/C16H28O2/c1-13(2,17)15-8-5-9-16(15,14(3,4)18)12-7-6-11(15)10-12/h11-12,17-18H,5-10H2,1-4H3
InChIKeyJQFNYGYOJQOQRM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.11
Rot. Bonds2

About 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol

2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol (PubChem CID 70233959) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol
PubChem CID70233959
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol
SMILESCC(C)(O)C12CCCC1(C(C)(C)O)C1CCC2C1
InChIInChI=1S/C16H28O2/c1-13(2,17)15-8-5-9-16(15,14(3,4)18)12-7-6-11(15)10-12/h11-12,17-18H,5-10H2,1-4H3
InChIKeyJQFNYGYOJQOQRM-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
CID 164833501
2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol
CID 18519241
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
1-cyclopropyl-1-(1,1-difluoroethyl)cyclopentane
CID 162597867
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
CID 142654820
2-(1-aminocyclopentyl)propan-2-ol;hydrochloride
CID 67001422
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(1R,4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 15560415
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
8-tert-butylspiro[3.4]octan-8-ol
CID 130933727
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol (CID 70233959) is 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol is CC(C)(O)C12CCCC1(C(C)(C)O)C1CCC2C1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol?
The InChIKey is JQFNYGYOJQOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-13(2,17)15-8-5-9-16(15,14(3,4)18)12-7-6-11(15)10-12/h11-12,17-18H,5-10H2,1-4H3.
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol?
2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol has a molecular weight of 252.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol is sourced from PubChem (CID 70233959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).