(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

C9H16O — CID 11263535

IUPAC(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyDEDZBEBBIUTZAJ-BIIVOSGPSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 11263535) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID11263535
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyDEDZBEBBIUTZAJ-BIIVOSGPSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 71385260
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
CID 134864548
zinc bis(2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 19695024
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 24943249
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (CID 11263535) is (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)[C@H]2CC[C@@H](O)[C@@H]1C2.
What is the InChIKey of (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is DEDZBEBBIUTZAJ-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1.
What are the key properties of (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 11263535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).