(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

C10H18O2 — CID 11008359

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@]1(O)CO
InChIInChI=1S/C10H18O2/c1-9(2)7-3-4-8(5-7)10(9,12)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChIKeyAVCGLLALGWYORY-KHQFGBGNSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds1

About (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11008359) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID11008359
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@]1(O)CO
InChIInChI=1S/C10H18O2/c1-9(2)7-3-4-8(5-7)10(9,12)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChIKeyAVCGLLALGWYORY-KHQFGBGNSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S)-3,3-dimethyl-2-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 15828690
(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 85385549
3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane
CID 123489658
2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol
CID 139233768
(1R,2R,4S)-3,3-dimethyl-2-[(3-phenoxyphenyl)methylsulfanylmethyl]bicyclo[2.2.1]heptan-2-ol
CID 40720953
4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
CID 72785049
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
CID 139233763
(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol (CID 11008359) is (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@H](C2)[C@]1(O)CO.
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is AVCGLLALGWYORY-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-3-4-8(5-7)10(9,12)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11008359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).