(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene

C11H16 — CID 163049049

IUPAC(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene
SMILESCC1=CC[C@@]23[C@@H]1C[C@@H]2C3(C)C
InChIInChI=1S/C11H16/c1-7-4-5-11-8(7)6-9(11)10(11,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyMVNCAPSFBDBCGF-FXPVBKGRSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene

(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene (PubChem CID 163049049) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene.

Molecular Properties

Compound Name(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene
PubChem CID163049049
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene
SMILESCC1=CC[C@@]23[C@@H]1C[C@@H]2C3(C)C
InChIInChI=1S/C11H16/c1-7-4-5-11-8(7)6-9(11)10(11,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyMVNCAPSFBDBCGF-FXPVBKGRSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene?
The IUPAC name of (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene (CID 163049049) is (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene.
What is the SMILES notation for (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene?
The canonical SMILES for (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene is CC1=CC[C@@]23[C@@H]1C[C@@H]2C3(C)C.
What is the InChIKey of (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene?
The InChIKey is MVNCAPSFBDBCGF-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H16/c1-7-4-5-11-8(7)6-9(11)10(11,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene?
(1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-2,2,6-trimethyltricyclo[3.3.0.01,3]oct-6-ene is sourced from PubChem (CID 163049049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).