(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol

C9H16O — CID 130977977

IUPAC(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol
SMILESC[C@H]1C[C@@H]2CC[C@H]1[C@H](O)C2
InChIInChI=1S/C9H16O/c1-6-4-7-2-3-8(6)9(10)5-7/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m0/s1
InChIKeyOOFGEKAPKBDXES-RBXMUDONSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol

(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol (PubChem CID 130977977) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol
PubChem CID130977977
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol
SMILESC[C@H]1C[C@@H]2CC[C@H]1[C@H](O)C2
InChIInChI=1S/C9H16O/c1-6-4-7-2-3-8(6)9(10)5-7/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m0/s1
InChIKeyOOFGEKAPKBDXES-RBXMUDONSA-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,6S)-6-methylbicyclo[2.2.2]octan-2-ol with MolForge

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Related Compounds

6-methylbicyclo[2.2.2]octan-2-ol
CID 5158952
(1R,4S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylic acid
CID 55251773
(1R,2R,4R,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylic acid
CID 6934631
methyl (2S,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylate
CID 2775644
(1S,2S,4R,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxamide
CID 130754174
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
CID 139094019
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
2-(2-hydroxy-4-methylcyclohexyl)-6-methylcyclohexan-1-ol
CID 139825110
[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
CID 71299500
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol (CID 130977977) is (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol is C[C@H]1C[C@@H]2CC[C@H]1[C@H](O)C2.
What is the InChIKey of (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol?
The InChIKey is OOFGEKAPKBDXES-RBXMUDONSA-N. The full InChI is InChI=1S/C9H16O/c1-6-4-7-2-3-8(6)9(10)5-7/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol?
(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-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,6S)-6-methylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 130977977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).