(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

C10H18O — CID 7271803

IUPAC(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
SMILESC[C@H]1[C@H](O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyREPVLJRCJUVQFA-LURQLKTLSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds

About (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol (PubChem CID 7271803) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
PubChem CID7271803
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
SMILESC[C@H]1[C@H](O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyREPVLJRCJUVQFA-LURQLKTLSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The IUPAC name of (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol (CID 7271803) is (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol is C[C@H]1[C@H](O)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
The InChIKey is REPVLJRCJUVQFA-LURQLKTLSA-N. The full InChI is InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol?
(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 7271803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).