(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol

C10H18O2 — CID 101471521

IUPAC(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SMILESCC1(C)C2CCC1(C)[C@H](O)[C@@H]2O
InChIInChI=1S/C10H18O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6?,7-,8-,10?/m1/s1
InChIKeyAYEOSGBMQHXVER-FATLICPNSA-N
MW170.25 g/mol
LogP1.16
Rot. Bonds

About (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol

(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol (PubChem CID 101471521) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
PubChem CID101471521
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SMILESCC1(C)C2CCC1(C)[C@H](O)[C@@H]2O
InChIInChI=1S/C10H18O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6?,7-,8-,10?/m1/s1
InChIKeyAYEOSGBMQHXVER-FATLICPNSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S)-4,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820197
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
CID 22217643
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
CID 14764693
2-hydroxyethyl-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 11868352
(1R,2R,3S,4R)-3-(2-hydroxyethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124768497
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574
(1R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 91115294
(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124677295

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol (CID 101471521) is (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol is CC1(C)C2CCC1(C)[C@H](O)[C@@H]2O.
What is the InChIKey of (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is AYEOSGBMQHXVER-FATLICPNSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6?,7-,8-,10?/m1/s1.
What are the key properties of (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol?
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 170.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 101471521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).