(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol

C9H16O — CID 7164520

IUPAC(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C[C@H]2C[C@H]1C[C@H]2O
InChIInChI=1S/C9H16O/c1-9(2)5-6-3-7(9)4-8(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyNFVLRTVRHRAPFB-GJMOJQLCSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 7164520) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID7164520
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C[C@H]2C[C@H]1C[C@H]2O
InChIInChI=1S/C9H16O/c1-9(2)5-6-3-7(9)4-8(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyNFVLRTVRHRAPFB-GJMOJQLCSA-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

Analyze (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11887485
5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane
CID 88900049
(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
CID 124705432
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
CID 90911661
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
(3aS,4S,7aR)-4-hydroxy-3a,5,5-trimethyl-1,3,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalen-2-one
CID 101067426
4,5,5-trimethylcyclohexane-1,3-diol
CID 130122164
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
CID 11593551

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol (CID 7164520) is (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C[C@H]2C[C@H]1C[C@H]2O.
What is the InChIKey of (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NFVLRTVRHRAPFB-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)5-6-3-7(9)4-8(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]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,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 7164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).