(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene

C12H16 — CID 101409828

IUPAC(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene
SMILESCC1=CC[C@@H]2[C@@]3(C)CCC=C[C@@]123
InChIInChI=1S/C12H16/c1-9-5-6-10-11(2)7-3-4-8-12(9,10)11/h4-5,8,10H,3,6-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyGOAGZWVCKOCSLC-IJLUTSLNSA-N
MW160.26 g/mol
LogP3.31
Rot. Bonds

About (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene

(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene (PubChem CID 101409828) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene.

Molecular Properties

Compound Name(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene
PubChem CID101409828
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene
SMILESCC1=CC[C@@H]2[C@@]3(C)CCC=C[C@@]123
InChIInChI=1S/C12H16/c1-9-5-6-10-11(2)7-3-4-8-12(9,10)11/h4-5,8,10H,3,6-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyGOAGZWVCKOCSLC-IJLUTSLNSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.31
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,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene?
The IUPAC name of (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene (CID 101409828) is (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene.
What is the SMILES notation for (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene?
The canonical SMILES for (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene is CC1=CC[C@@H]2[C@@]3(C)CCC=C[C@@]123.
What is the InChIKey of (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene?
The InChIKey is GOAGZWVCKOCSLC-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H16/c1-9-5-6-10-11(2)7-3-4-8-12(9,10)11/h4-5,8,10H,3,6-7H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene?
(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene has a molecular weight of 160.26 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene is sourced from PubChem (CID 101409828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).