(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde

C11H18O2 — CID 89295257

IUPAC(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde
SMILESC[C@]1(C=O)CC2CCCCCC21O
InChIInChI=1S/C11H18O2/c1-10(8-12)7-9-5-3-2-4-6-11(9,10)13/h8-9,13H,2-7H2,1H3/t9?,10-,11?/m1/s1
InChIKeyGLSVRWMMLSEVEO-HSOILSAZSA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds1

About (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde

(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde (PubChem CID 89295257) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde.

Molecular Properties

Compound Name(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde
PubChem CID89295257
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde
SMILESC[C@]1(C=O)CC2CCCCCC21O
InChIInChI=1S/C11H18O2/c1-10(8-12)7-9-5-3-2-4-6-11(9,10)13/h8-9,13H,2-7H2,1H3/t9?,10-,11?/m1/s1
InChIKeyGLSVRWMMLSEVEO-HSOILSAZSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde?
The IUPAC name of (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde (CID 89295257) is (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde.
What is the SMILES notation for (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde?
The canonical SMILES for (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde is C[C@]1(C=O)CC2CCCCCC21O.
What is the InChIKey of (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde?
The InChIKey is GLSVRWMMLSEVEO-HSOILSAZSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(8-12)7-9-5-3-2-4-6-11(9,10)13/h8-9,13H,2-7H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde?
(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde is sourced from PubChem (CID 89295257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).