(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene

C12H18 — CID 11084199

IUPAC(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESC[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
InChIKeyHKLBEHRJWPWLOB-QCNOEVLYSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene

(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 11084199) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID11084199
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESC[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
InChIKeyHKLBEHRJWPWLOB-QCNOEVLYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene (CID 11084199) is (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene is C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is HKLBEHRJWPWLOB-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
(1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 11084199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).