(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde

C15H22O2 — CID 10421546

IUPAC(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
SMILESC/C1=C\CC/C(C=O)=C\[C@H]2C[C@]2(C)[C@@H](O)CC1
InChIInChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4+,12-8+/t13-,14-,15-/m0/s1
InChIKeyHLMCIXCJYXTZPQ-BVZXDYBUSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds1

About (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde

(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde (PubChem CID 10421546) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde.

Molecular Properties

Compound Name(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
PubChem CID10421546
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
SMILESC/C1=C\CC/C(C=O)=C\[C@H]2C[C@]2(C)[C@@H](O)CC1
InChIInChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4+,12-8+/t13-,14-,15-/m0/s1
InChIKeyHLMCIXCJYXTZPQ-BVZXDYBUSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde?
The IUPAC name of (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde (CID 10421546) is (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde.
What is the SMILES notation for (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde?
The canonical SMILES for (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde is C/C1=C\CC/C(C=O)=C\[C@H]2C[C@]2(C)[C@@H](O)CC1.
What is the InChIKey of (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde?
The InChIKey is HLMCIXCJYXTZPQ-BVZXDYBUSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4+,12-8+/t13-,14-,15-/m0/s1.
What are the key properties of (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde?
(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde is sourced from PubChem (CID 10421546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).