(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol

C11H20O2 — CID 131019242

IUPAC(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)O[C@H]1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C11H20O2/c1-11(2,3)13-10-7-4-5-8(10)9(12)6-7/h7-10,12H,4-6H2,1-3H3/t7-,8+,9+,10-/m0/s1
InChIKeyAYPDHVYOLLJXPY-JLIMGVALSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds1

About (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol

(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol (PubChem CID 131019242) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol
PubChem CID131019242
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)O[C@H]1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C11H20O2/c1-11(2,3)13-10-7-4-5-8(10)9(12)6-7/h7-10,12H,4-6H2,1-3H3/t7-,8+,9+,10-/m0/s1
InChIKeyAYPDHVYOLLJXPY-JLIMGVALSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[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

2-[(1R,2S,3S,4R,5S,6S,7S)-5-[(2-methylpropan-2-yl)oxy]-8-tetracyclo[4.3.0.02,4.03,7]nonanyl]propan-2-ol
CID 135045879
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
7-fluorobicyclo[2.2.1]heptan-2-ol
CID 130149072
7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane
CID 14220126
4,8-dimethylbicyclo[3.3.1]nonan-2-ol
CID 57166939
4-[(2-methylpropan-2-yl)oxy]bicyclo[3.2.1]oct-2-ene
CID 558067
5-(4-hydroxy-2-methylcyclohexyl)-2-methylcyclohexan-1-ol
CID 139824932
(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 101144370
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
CID 118186347
(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
CID 131065411
2-bromobicyclo[3.2.0]heptan-3-ol
CID 13087128
(1R,2R,4R)-7-[ethyl(methyl)amino]bicyclo[2.2.1]heptan-2-ol
CID 23251976

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol (CID 131019242) is (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol is CC(C)(C)O[C@H]1[C@H]2CC[C@@H]1[C@H](O)C2.
What is the InChIKey of (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is AYPDHVYOLLJXPY-JLIMGVALSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)13-10-7-4-5-8(10)9(12)6-7/h7-10,12H,4-6H2,1-3H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 131019242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).