(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one

C13H18O2 — CID 11499430

IUPAC(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESCC1=CC[C@H]2C(=O)[C@@H]3CC[C@@]2(C)[C@H]1[C@H]3O
InChIInChI=1S/C13H18O2/c1-7-3-4-9-11(14)8-5-6-13(9,2)10(7)12(8)15/h3,8-10,12,15H,4-6H2,1-2H3/t8-,9-,10+,12-,13+/m0/s1
InChIKeyHIAXKPZYQNQGNH-VKISENBKSA-N
MW206.28 g/mol
LogP1.93
Rot. Bonds

About (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one

(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one (PubChem CID 11499430) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one.

Molecular Properties

Compound Name(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one
PubChem CID11499430
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESCC1=CC[C@H]2C(=O)[C@@H]3CC[C@@]2(C)[C@H]1[C@H]3O
InChIInChI=1S/C13H18O2/c1-7-3-4-9-11(14)8-5-6-13(9,2)10(7)12(8)15/h3,8-10,12,15H,4-6H2,1-2H3/t8-,9-,10+,12-,13+/m0/s1
InChIKeyHIAXKPZYQNQGNH-VKISENBKSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The IUPAC name of (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one (CID 11499430) is (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one.
What is the SMILES notation for (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The canonical SMILES for (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one is CC1=CC[C@H]2C(=O)[C@@H]3CC[C@@]2(C)[C@H]1[C@H]3O.
What is the InChIKey of (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one?
The InChIKey is HIAXKPZYQNQGNH-VKISENBKSA-N. The full InChI is InChI=1S/C13H18O2/c1-7-3-4-9-11(14)8-5-6-13(9,2)10(7)12(8)15/h3,8-10,12,15H,4-6H2,1-2H3/t8-,9-,10+,12-,13+/m0/s1.
What are the key properties of (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one?
(1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one has a molecular weight of 206.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,8S,11R)-11-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one is sourced from PubChem (CID 11499430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).