(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

C15H22O2 — CID 46938444

IUPAC(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
SMILESC/C1=C\CC/C(C=O)=C\[C@H]2[C@@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)7-12-13(8-14(10)17)15(12,2)3/h5,7,9,12-14,17H,4,6,8H2,1-3H3/b10-5+,11-7+/t12-,13+,14+/m0/s1
InChIKeyHWYGETKWTYJBKT-PCZJBJSPSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds1

About (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde (PubChem CID 46938444) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde.

Molecular Properties

Compound Name(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
PubChem CID46938444
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
SMILESC/C1=C\CC/C(C=O)=C\[C@H]2[C@@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)7-12-13(8-14(10)17)15(12,2)3/h5,7,9,12-14,17H,4,6,8H2,1-3H3/b10-5+,11-7+/t12-,13+,14+/m0/s1
InChIKeyHWYGETKWTYJBKT-PCZJBJSPSA-N
XLogP2.88
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 ≤ 52.88
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'}

Analyze (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde with MolForge

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Related Compounds

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Pekinenal
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Eucamalol
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(1R,2E,6E,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
CID 10421546
(1S,2Z,7E,11R)-8-(hydroxymethyl)-12,12-dimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
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(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene-10-carbaldehyde
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8-Hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
CID 75244215
11-(Hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
CID 78144675
(3R,4R)-3-Hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
CID 91884957
(1S,2Z,10R,11S)-11-(hydroxymethyl)-11-methyl-7-methylidene-6-oxobicyclo[8.1.0]undec-2-ene-3-carbaldehyde
CID 100974493

Frequently Asked Questions

What is the IUPAC name of (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The IUPAC name of (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde (CID 46938444) is (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde.
What is the SMILES notation for (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The canonical SMILES for (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde is C/C1=C\CC/C(C=O)=C\[C@H]2[C@@H](C[C@H]1O)C2(C)C.
What is the InChIKey of (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The InChIKey is HWYGETKWTYJBKT-PCZJBJSPSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)7-12-13(8-14(10)17)15(12,2)3/h5,7,9,12-14,17H,4,6,8H2,1-3H3/b10-5+,11-7+/t12-,13+,14+/m0/s1.
What are the key properties of (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
(1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6E,8R,10R)-8-hydroxy-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde is sourced from PubChem (CID 46938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).