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

C8H14O — CID 11863551

IUPAC(1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]1(O)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyQBAQBGVSOIIKBF-XLPZGREQSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

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

(1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11863551) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID11863551
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]1(O)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyQBAQBGVSOIIKBF-XLPZGREQSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol (CID 11863551) is (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol is C[C@@]1(O)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is QBAQBGVSOIIKBF-XLPZGREQSA-N. The full InChI is InChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11863551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).