(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C20H36O2 — CID 135369493

IUPAC(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1O.CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/2C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11;1-9(2)7-4-5-10(9,3)8(11)6-7/h2*7-8,11H,4-6H2,1-3H3/t7-,8+,10+;7-,8-,10+/m10/s1
InChIKeyFZBZOYJTZLJWPV-XHODTWGGSA-N
MW308.51 g/mol
LogP4.39
Rot. Bonds

About (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 135369493) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID135369493
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1O.CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/2C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11;1-9(2)7-4-5-10(9,3)8(11)6-7/h2*7-8,11H,4-6H2,1-3H3/t7-,8+,10+;7-,8-,10+/m10/s1
InChIKeyFZBZOYJTZLJWPV-XHODTWGGSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 158725943
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135367664

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 135369493) is (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1O.CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2.
What is the InChIKey of (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is FZBZOYJTZLJWPV-XHODTWGGSA-N. The full InChI is InChI=1S/2C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11;1-9(2)7-4-5-10(9,3)8(11)6-7/h2*7-8,11H,4-6H2,1-3H3/t7-,8+,10+;7-,8-,10+/m10/s1.
What are the key properties of (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 308.51 g/mol, XLogP of 4.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 135369493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).