(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol

C13H20O — CID 95565361

IUPAC(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
SMILESC[C@@H]1CC[C@@]23[C@H](O)C=C[C@]2(C)CC[C@@H]13
InChIInChI=1S/C13H20O/c1-9-3-8-13-10(9)4-6-12(13,2)7-5-11(13)14/h5,7,9-11,14H,3-4,6,8H2,1-2H3/t9-,10+,11-,12+,13-/m1/s1
InChIKeySEJBLZONSIHCLJ-RXGFPQBGSA-N
MW192.30 g/mol
LogP2.75
Rot. Bonds

About (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol

(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol (PubChem CID 95565361) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol.

Molecular Properties

Compound Name(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
PubChem CID95565361
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
SMILESC[C@@H]1CC[C@@]23[C@H](O)C=C[C@]2(C)CC[C@@H]13
InChIInChI=1S/C13H20O/c1-9-3-8-13-10(9)4-6-12(13,2)7-5-11(13)14/h5,7,9-11,14H,3-4,6,8H2,1-2H3/t9-,10+,11-,12+,13-/m1/s1
InChIKeySEJBLZONSIHCLJ-RXGFPQBGSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol?
The IUPAC name of (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol (CID 95565361) is (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol.
What is the SMILES notation for (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol?
The canonical SMILES for (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol is C[C@@H]1CC[C@@]23[C@H](O)C=C[C@]2(C)CC[C@@H]13.
What is the InChIKey of (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol?
The InChIKey is SEJBLZONSIHCLJ-RXGFPQBGSA-N. The full InChI is InChI=1S/C13H20O/c1-9-3-8-13-10(9)4-6-12(13,2)7-5-11(13)14/h5,7,9-11,14H,3-4,6,8H2,1-2H3/t9-,10+,11-,12+,13-/m1/s1.
What are the key properties of (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol?
(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol is sourced from PubChem (CID 95565361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).