2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

C11H20O2 — CID 130151891

IUPAC2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2CCC(O)(CCO)C1C2
InChIInChI=1S/C11H20O2/c1-10(2)8-3-4-11(13,5-6-12)9(10)7-8/h8-9,12-13H,3-7H2,1-2H3
InChIKeyCUHTWZIDBKYBDS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 130151891) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID130151891
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2CCC(O)(CCO)C1C2
InChIInChI=1S/C11H20O2/c1-10(2)8-3-4-11(13,5-6-12)9(10)7-8/h8-9,12-13H,3-7H2,1-2H3
InChIKeyCUHTWZIDBKYBDS-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol with MolForge

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Related Compounds

(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
CID 101109810
CID 101109810
ethyl 2-[(1R,2S,5S)-2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
CID 139266075
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973
1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 72961616
(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
2-(7,7-dimethyl-3-oxatricyclo[4.1.1.02,4]octan-2-yl)ethanol
CID 14167481
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
3-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)propanal
CID 177223499

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (CID 130151891) is 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)C2CCC(O)(CCO)C1C2.
What is the InChIKey of 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is CUHTWZIDBKYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-3-4-11(13,5-6-12)9(10)7-8/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 130151891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).