(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol

C15H24O2 — CID 139586899

IUPAC(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol
SMILESC[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-12,16-17H,7-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKeyRPUQFKXVTKMLAL-JVHLPBCQSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds

About (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol

(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol (PubChem CID 139586899) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol
PubChem CID139586899
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol
SMILESC[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-12,16-17H,7-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKeyRPUQFKXVTKMLAL-JVHLPBCQSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol with MolForge

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Related Compounds

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(1R,2R,3S,5S)-2,6,6,9-tetramethyltricyclo[6.3.0.01,5]undec-8-en-3-ol
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CID 170695126
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CID 95565361
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
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CID 130145484
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol?
The IUPAC name of (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol (CID 139586899) is (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol.
What is the SMILES notation for (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol?
The canonical SMILES for (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol is C[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123.
What is the InChIKey of (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol?
The InChIKey is RPUQFKXVTKMLAL-JVHLPBCQSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-12,16-17H,7-8H2,1-4H3/t9-,10-,11+,12+,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol?
(1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S,8S,9S)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undec-10-ene-3,9-diol is sourced from PubChem (CID 139586899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).