(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol

C9H16O — CID 54495644

IUPAC(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
SMILESC[C@H]1[C@H]2[C@@H]1C(C)(C)C[C@@H]2O
InChIInChI=1S/C9H16O/c1-5-7-6(10)4-9(2,3)8(5)7/h5-8,10H,4H2,1-3H3/t5-,6-,7+,8+/m0/s1
InChIKeyXYWMMGLFGRKZRX-RULNZFCNSA-N
MW140.23 g/mol
LogP1.66
Rot. Bonds

About (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol

(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol (PubChem CID 54495644) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
PubChem CID54495644
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
SMILESC[C@H]1[C@H]2[C@@H]1C(C)(C)C[C@@H]2O
InChIInChI=1S/C9H16O/c1-5-7-6(10)4-9(2,3)8(5)7/h5-8,10H,4H2,1-3H3/t5-,6-,7+,8+/m0/s1
InChIKeyXYWMMGLFGRKZRX-RULNZFCNSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol (CID 54495644) is (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol is C[C@H]1[C@H]2[C@@H]1C(C)(C)C[C@@H]2O.
What is the InChIKey of (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is XYWMMGLFGRKZRX-RULNZFCNSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-6(10)4-9(2,3)8(5)7/h5-8,10H,4H2,1-3H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol?
(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 54495644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).